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Nanoscale and Material Sciences


Kumar Research Group
Molecular Packing Analysis

Groups, People

Affiliated and special interest groups
Andrew's Home Page
ANU RSC Biomolecular Simulation-Calculation Group Home Page
Bio-Computing group - Univ. Heidelberg
Biological and Biophysical Chemistry Group, Imperial College
Biomolecular Materials Group at NIST
BIOSYM Technologies Home Page
CCP4 - Protein crystallography
Centre for Molecular and Biomolecular Informatics
Chemistry and Biological Sciences
Christopher J. Cramer
CMBI - Home Page Main
Donald Boyd
Dr Andrew David Miller
Dr. Andrew C.R. Martin's bioinformatics site
Dr. Y.Z. Chen's Web Page on Biocomputing, Molecular Modeling and Drug-Design
ETH Zurich - Prof. Kurt Wuthrich
ExPASy Molecular Biology Server
FlyBase @
Institut de Biologie Physico-Chimique- IBPC page d'accueil
Ion Channel Structure Research Group
ITB - Innovationskolleg Theoretische Biologie
Jay Ponder Lab Home Page
Kollman Group Home Page
MGMS events in the coming months
Michael S. Chapman HomePage Research; Software..
MM Links to the Net. - Protein Modeling
Molecular Biology and Internet
Molecular Dynamics in Bio-Science
Naturwissenschaftliche Fakultät IV - Chemie und Pharmazie, Universität Regensburg
Other Useful Servers and Services
Pharmaceutical Chemistry at CERCA
Protein Structure Prediction Center
Reading University BioInformatics Consortium
States group referal page
Structural Biology Labs, Biomedical Centre, Uppsala, Sweden
The Computational Center for MacroMolecular Structures
The European Molecular Biology Organization
The MDY group's homepage
Theoretical Biophysics and Structural Biology
Theoretical Biophysics Group - Illinois Univ.
UCL Biochemistry BSM Group
Welcome to BioTech


Biochemist On-Line
BioCoRE - A Collaboratory for Structural Biology
Molecular Modeling Page
Useful links
Worthington Biochemical Web Directory


Biological and Biochemical Software
Entrez Home
ExPASy Molecular Biology Server
Free Software in Molecular Biology
IUBio Archive for Biology
Jay Ponder Lab Home Page
MOLMOL - MOLecule analysis and MOLecule display
NAMD - Scalable Molecular Dynamics
Population genetics software
Research Programs in Biomolecular Modeling and Drug Design
SAL- Other Scientific Fields - Chemistry, Biology & Related
Software Archives
The SAMSAM Tutorial Pages
The SNL-CA Computational Chemistry Group
Tinker and other related things
VRML for the communication with 3D scenarios of biomolecules


Biological Macromolecule Crystallization Database
BioSEL - Bio Search Engine Launcher
Drugs Page
Gene Therapy Research
IBS - Protein Diffusion.
Lipids Page
Medicines, Drugs, and Stimulants
Polypeptide Structure
Sugar Molecules Page
Viewing Proteins Enter the Connection!


A Novel, Simple, Exact Model to Explore Protein Folding
Ab initio Molecular Dynamics studies of targets for anti-AIDS therapy
An ab Initio Study of Biological Systems, PhD Thesis of Matthew Segall
Computer Simulation of Organic and Biological Molecules
Course and student information
Courses Offered
Education Biochemistry
Environmental Chemistry
IRBM Practical Course Frontiers of Protein Structure Prediction 1995
MML96 Course-Table of Contents
Modeling and Visualization for Polymers and Biomolecules
Modeling Macromolecules
module on the chemical basis of taste and smell
Molecular Models
Molecules in the Classroom-UMass Amherst
NDB Atlas of Nucleic Acid Containing Structures
Nucl. Acids. Res. -- Abstracts Berman et al. 28 (1) 235
Principles of Protein Structure, Comparative Protein Modelling and Visualisation
QUSAR - A Widely Applicable Set of Descriptors
The RCSB Protein Data Bank
The Structure and Function of the Plasma Membrane
Washington University Short Course in Computational Molecular Biology
WWW Teaching Examples


Catalyst User Group

Articles and Tutorials

Design of perovskites for electronics and catalytical applications
Enantioselective homogeneous catalysis
Introdoction to heterogeneous catalysis
Introduction to heterogeneous catalysis
Topics in Catalysis


A. Serianni Home Page
Boreskov Institute of Catalysis - Russian Academy
Boreskov Institute of Catalysis
CAMP Homepage
catalyse - Univ Llyon (theomo)
Catalysis and Chemical Kinetics
Catalyst User Group
CNRS-IRC, surfaces et métaux en catalyse
Dario Alfè current research interest
Dr. Furio Cora'
EMSL Web Tour - EMSL 1202-1206 Surface Science and Catalysis
Groups Working on Catalysis in Germany
Heterogeneous catalysis and surface science
Instituto de Catalisis y Petroleoquimica
Interface chemistry, colloids and catalysis
Marco Natali
MIT ChemE Faculty Bernhardt L. Trout
Prof R M Ormerod Home Page
UCLA's Chemical Reaction Engineering (CRE) Laboratory


Aatto Laaksonens
Alain ROCHEFORT (Research Professional)
Alejandro Garcia's Web Site
Alexander Lyubartsev home page
American Technologies Group What Are They Up To
Ames Laboratory Condensed Matter Physics Group
Ames Laboratory Condensed Matter Theory Group
Amir Farajian's Homepage
Andersen Department
Andrew Fisher's Home Page
Arizona State University Center for Solid State Science
Atomic and Molecular Clusters - People
Atomistic Simulation Group - K.J.W. Atkinson
Atomistic Simulation Group (QUB)
Atomistic Simulation Group
Aug's home page
AVXM Partnership Software for simulation of thin film growth
Bernd Hartke
BioCoRE A Tool-Oriented Collaboratory for Structural Biology
Brad Hein's Nanotechnology Site
Brookhaven Condensed Matter Theory
brookhaven National Laboratory
Caltech ASCI-ASAP Materials Properties
Cambridge Theoretical Chemistry
CAMP Homepage
CCP5 - Computer simulation of condensed
CCP9 - Computational studies of the electronic structure of solids
CEA-DSM-DRECAM Accueil, France
Center for Accelerated Maturation of Materials
Center for Atomic-scale Materials Physics
Center for Atomic-scale Molecular Physics
Center for Computational Materials Science - NRL Code 6390 Home Page
Center for Computational Materials Science
Center for Condensed Matter Physics
Center for Materials Research at The Ohio State University
Center for Materials Simulation
Center for Molecular Modeling
Center for Nonlinear Dynamics - Nonlinear Dynamics Home Page
Center for Nonlinear Studies - Los Alamos
Center for Research on Computation and its Applications (CERCA)
Centre for Computational Materials Science (NRL Code 6390 Home Page)
Centre for Molecular and Biomolecular Informatics
Centre for Molecular Simulation
Chemical engeneering at MIT
Chemical Engineering at MIT
Chemistry and Material Science
Chemistry at UCLA, Theoretical-Computational
Chemistry@Surrey Laboratories
CLRC's Computational Science and Engineering Department
CNLS Research Staff
Computational and Theoretical Chemistry at Manchester University
Computational and Theoretical Techniques for Materials Science
Computational Chemistry and Material Science - DoD HPCMP
Computational Chemistry and Material Science
Computational Chemistry and Materials Science(CCM)
Computational Chemistry Carl Mark Windsor
Computational Electronics Group
Computational Materials Science - IBM
Computational Materials Science - NCSU Department of Materials Science and Engineering
Computational Materials Science Group - CLRC
Computational Materials Science Group
Computational Materials Science
Computational Physics - Carleton University
Computational Physics Resource on the Internet
Computational Solid State Chemistry, University of Bristol
Computer Modelling & Simulation
Condensed Matter Research Institute, Timisoara
Condensed Matter & Materials Physics,UCL
Condensed Matter and Materials Physics - London
Condensed Matter and Materials Physics - University College London
Condensed Matter and Materials Physics -UCL
Condensed Matter and Materials Physics
Condensed Matter Department
Condensed Matter Physics - Ames Lab - ISU
Condensed Matter Theory Group - UC
Condensed Matter Theory Group - Uppsala Univ.
Condensed Matter Theory Group, York Univ.
Condensed Matter Theory Program
Condensed Matter Theory, Solid State Division, ORNL
Condensed-Matter Theory
Cornell Center for Materials Research (CCMR)
Cornell Center for Materials Research
Cornell Theory Center
CSE - Computational Materials Science Group
CSE - People - p.j.d.lindan
Cummings group WWW server
Daresbury Labs
Dario Alfe personal web page;
Dave Touretzky's Home Page
David Bird's Home Page
David Chandler
David Drabold
David Nicholson D.Sc. Ph.D. FRSC
Department for Metal and Alloy Theory - Ukraine
Department of Applied Materials Science
Department of Chemistry - University of Oxford
Department of Chemistry, Imperial College.
Department of Computational Physics of SPbSU, Russia
Department of Earth Sciences - Uppsala University
Department of Materials Science and Engineering - Virginia Univ.
Department of Physics and Astronomy Homepage
Design of Materials Computational Prediction of Materials Properties at George Mason University
Device Materials Group - Cambridge Univ.
Don Truhlar - Computational Chemistry Group
Dr David J. Wales
Dr M Saiful Islam
Dr. Bercu Mircea
Dr. Jeffry Madura
Dr. Lidunka Vocadlo
Dr. Sharon C. Glotzer
Dr. Tahir Çagin
Durham Atomic and Molecular Physics Research Page
Durham Physics Condensed Matter Research Page
Dynamics and Pattern Formation
E.E.S. Home (English) - Saporo, Jp.
Electronic Structure Group
EMSL Chemical Structure and Dynamics
ESF - Physical and Engineering Sciences - STRUCb
European NANOPHASE Network
Final Project for 18.337 Parallel Scientific Computing
Florian Müller-Plathe's Home Page
Fluid Structure and Properties Group
FOM-Institute for Atomic and Molecular Physics [ AMOLF ]
Foresight Institute (Nanotechnology)
Foundations of Computational Chemistry Overview
Greg Voth
Hank Cochran - Fluid Structure and Properties Group
Home Page - Lehrstuhl Biopolymere - Universität Bayreuth
Home Page Jim Chelikowsky
Home Page of Tahir Cagin
home page
Home-Page of the sand group at the Humboldt University
HUT-Physics, Homepage of EPM Group
Institute for Materials Research
Institute for Theoretical Physics, Wurzburg Univ.
Institute of Chemical Engineering-HT - FORTH
Institute of Solid State Physics, Russian Academy of Sciences
IPT on Device-Process Modeling and Nanotechnology
Istituto Nazionale per la Fisica della Materia
ITD - Coordination
Jakob Schiøtz' homepage
Jan Petter Hansen
John Finney
Joint Laboratory of the Solid State Chemistry - IntroPage
Joint Research Center for Atom Tehnology - HOME PAGE MAIN (JP)
Jónsson research group home page
Ju Li's Simulation Archive - Ice
Juan Antonio Anta's home page
Julien Cazorla
KAIST Theoretical Condensed Matter Physics Group Homepage
Katanin Andrey A - Magnetism
Kaxiras Group Home Page
Keele Computational Physics Group
Kenichiro Koga
KFKI Home Page
Kim's Research Group
Laboratoire C.N.R.S
Laboratoire de Chimie théorique de Nancy
Laboratoire de PhysicoChemie Moleculaire - Bordeaux
Laboratory of Atomic and Solid State Physics - Cornell
Laboratory of Molecular Electrochemistry, Università di Torino and Università del Piemonte Orientale Amedeo Avogadro
Laboratory of Structure and Lattice Dynamics UW
Ladislav Kocbach (
Laird Homepage
LBNL Materials Sciences Division Home Page
LDRD Project WWW Home Page
Leonid Zhigilei
Lev Kantorovich
Liao, Dongyi
Lisa Porter
Lubomir Skala - Charles Univ., Czech Rep.
M. J. Gillan home page
Magnetic Materials
Main Page of Materials Group - CERCA
MaLice - Material and Life Science Computational Environment
Manchester Materials Science Centre
Maria Alfredsson
Martin Kroger home page
Massachusetts Institute of Technology
Materials and Process Simulation Center Home Page
Materials Chemistry Section
Materials Design by Computer Simulation
Materials Home Page
Materials Modelling Laboratory - Research Introduction
Materials Research - MSI
Materials Research Center
Materials Research Laboratory
Materials Research Science and Engineering Center
Materials Science and Engineering -- Northwestern University
Materials Science Institute
Materials Science Resources Outside Science Organizations
Materials Science Resources
Materials Science, School of Engineering, Vanderbilt University
Materials Simulation Science Department (9225)
MBSF Project WWW Home Page
Mechanics of Solids and Structures Group at Brown University
Mike Gillan's Virtual Matter Laboratory
Minnesota Computational Chemistry
MIT ChemE Faculty Bernhardt L. Trout
MIT Dept. of Electrical Engineering and Computer Science
Miyamoto Laboratory
Modelling & Simulation Homepage
Modelling of Zeolite Catalysis
Mol sim web
Molecular and Electronic Nanostructures - Description
Molecular and Electronic Nanostructures
Molecular and Materials Modeling
Molecular Dynamics Studies at CNLS
Molecular Graphics, Simulation and Virtual Reality
Molecular Modeling Laboratory
Molecular Modeling
Molecular Modelling for Organic Chemistry
Molecular Science Group - Bristol
Molecular Simulation Group
Molecular Simulation Home Page
Molecular Simulation Mike Allen Page
Molecular Structures Group, University of Kansas
Molecular-Based Study of Fluids and Amorphous Materials
MSD at Argonne National Laboratory
Nanostructure Science and Technology
Nanotechnology- Artificial Intelligence Net Links
NAS Computational Molecular Nanotechnology
NCSA Condensed Matter Physics Home Page
NCSU Department of Materials Science and Engineering
Niels E. Christensen
NIST-MSEL Center for Theoretical and Computational Materials Science
NM Harrison's home page
Nonequilibrium Gas Dynamics Group
Nonequilibrium Working Group
Osawa lab. Home Page
OutBox page for Eduardo M Bringa
Oxford Centre for Molecular Sciences
P.W.M. Jacobs
Paulette Clancy and Mike Teter - Improved Algorithms for the Computer Simulation of Materials Processing
Per Stoltze
Periodic Table of Computational Chemistry
Personnel at the Institute of Materials Chemistry, Uppsala University
Physical chemistry at Penn
Physics at Exeter
Physics Computing Facility - Ohaio Univ.
Physics Research@MIT Condensed Matter Physics
Physics-Applied Physics at Michigan Tech
Prof. Arias's Home Page
Prof. Arias's Xolas Home Page
Prof. C. R. A. Catlow
Prof. David Clary
Prof. Mark E. Tuckerman's Homepage
Prof.Dr.Werner F.Kuhs - Kristallographie Inst., Goettingen
Professor Mike Drew
Projects in the Theoretical Physics Group
Psi -k = Electronic structure of Solids and Surfaces
Quantum Optoelectronics
Research Activities at Physical Chemistry Group in Torino
Research Areas in Materials - Chemical Gas Sensors
Research Interests, Dr D M Heyes
Richard Martin, UIUC Physics
Robert E. Rudd
Roger Smith's Homepage
Roland E.A. - TAMU
Rominfor-Micro and Nanoscience and EngineeringMicro and Nanoscience and Engineering
Ronald E. Cohen Selected Research since 1997
Royal Institution of Great Britain
RSC - Theoretical Chemistry Croup
S.K.Bose's personal info
SDSC A National Laboratory for Computational Science and Engineering
Sean Morgan's Nanotechnology Pages
Section for Theoretical and Computational Physics (SENTEF) UiB
SIMS-The Steacie Institute for Molecular Sciences
SIMU challenges in molecular simulations
SISSA Condensed Matter Sector
Smart Materials and Structures Research Center
Solid State Division - ORNL
Solid State Physics @ Lund University
Squier Group - Education
Stefan Adams - mki Uni Goettingen
Steve's Molecular Modeling Bookmarks
Terry P. Lybrand
Texas Tech Physics Faculty Profile Stefan K. Estreicher
The Durham-Newcastle Theoretical Atomic & Molecular Physics Group
The Hoffmann Group Home Page
The IMPACT Group Home Page
The Institute for Quantum Engineering Science and Technology
The Institute of Materials Science
The Laboratory of Atomic and Solid State Physics - LASSP Faculty
The Laird Research Group
The Materials Modelling Laboratory (Oxford)
The Materials Research Group at the University of Southampton
The Materials Science Homepage
The Nanoscale Physics Research Laboratory
The Research Page of Computational Physics
The Theory and Simulation Group of David Nicholson
Theoretical Chemistry Group in Torino
Theoretical condensed matter physics - Bath
Theoretical condensed matter physics
Theoretical Mineral Physics - Oxford Univ.
Theoretical Semiconductor Physics at Exeter
Theory Group Home page - Bristol
Theory of Chemical Reactions in Condensed Phase
Theory of Condensed Matter Group
Thomas Beck Group Home Page
Trout's Group Homepage
Tulane Physics
U.York Physics..Research & Publications
UC Irvine Condensed Matter Theory
UCL - Department of Materials Science Engineering and Chemical Engineering
UCSB Physics Research
UIC Chemical Engineering Homepage
UIUC Materials Computation Center (MCC) at The Fredrick Seitz Materials Research Laboratory
Universitaet Wien, Institut fuer Materialphysik, Computational Material Science Group
Universite Paul Sabatier - Toulouse III - France - serveur www de la Filiere Chimie-Physique
University of Pretoria - Department of Physics - Applied Physics and Materials Research Group
UNLV Condensed Matter Physics
UVA - IMC research groups
UW Condensed Matter Theory
UW-Madison Chemistry Faculty - Frank A. Weinhold
Valera Veryazov
Virtual Matter Laboratory front page
VU Research Group - Department of Theoretical Chemistry, Vrije Universiteit Amsterdam
W. Craig Carter
W. L. Jorgensen Group
Wales group home page clusters, energy landscapes and global minima
Ware's home page - Nanotechnology
Welcome to Jamie's Home
Yuichi Hashi's Home Page

Lists and Links

Bookmarks for Dongyi Liao - MIT
Bookmarks for Eduardo Bringa
Carbon Nanotube Links
CCP5 Computer Simulation of Condensed Phases
Chemist's Art Gallery
CNLS Research Staff
Computational Chemistry, Molecular Modeling (Soaring Bear)
Computational Physics Laboratories - Some links
Computational Physics Resource on the Internet
Curotto Emanuele's Links to Molecular dynamics research groups
Development and Applications of the Hartree-Fock Method in Materials Science
Frameset for Rominfor Discussion
Future Technology (David Cary)
Links - CMT Uppsala
Links Theoretical and Computational Chemistry at Manchester University
Links to Other Materials Sites and Organizations
MALICE archives -- August 2000
Material Science Links
Microelectronics Atomic Scale Design (ASDN). Home Page.
MIT - Computing Links
Molecular Nanotechnology
Molecular Simulation Links Page
NANOPHASE - Other groups
Nanotechnology on the WWW
Particle-Solid Interactions List
Phil Lindan - Computer simulation and general science links
Recommended reading - D. Drabold
Science from LASSP (small selection)
States of Matter Websites
Theoretical Chemistry links, Stuttgart Univ.
Theory of Condensed Matter Group
University of Pretoria - Department of Physics - Links to other sites
Useful Physics Links


6 Los proyectos
Búsqueda de proyectos
Computer Simulation of Laser Ablation
CORDIS ECSC-Steel Projects Steel related RTD projects within the ECSC steel RTD programme
CSE - QUASI - Quantum Simulation in Industry
Dario Alfè - Earth's Core
Electronic Theory
Fluid Structure and Properties Group
Gallery of Molecular Machines
HLRS - Projects - Electronic Structure Calculations for Wide Band Gap Alloys
Interaction of Solvents, Solutes, and Surfaces Group
Kaxiras Group Research Projects
Modeling and Simulation in Materials Science
Projects at CSCS
Purpose of Research - Electronic structure
The Nanometer Structure Consortium


1998 NERSC Annual Report
Atmospheric science in the laboratory Progress 1991-1994
Atomic and Molecular Clusters - Publications
Bonding in Inorganic Materials
Caltech ASCI-ASAP Publications
Chalmers Dissertations Front Page
Chemical Physics authors-titles May '95
Complex Systems Theory Preprint-Reprint Server
Computational Materials Science
Computational study of framework vibrations in zeolites
cond-mat authors-title search for 'Hermann Stoll' all years (1992-2000)
cond-mat authors-title search for 'Klaus Doll' all years (1992-2000)
Cracks in the Theory of Cracks
Designing a New Material World - Science -- Olson 288 (5468) 993
Dr. R. Jones publications by date
Dr. R. Jones publications by Journal
Dr. R. Jones publications in Phil Mag B
Dynamics home page
Embedded Cluster Potentials and the acidity of zeolite and SAPO34
Energetics, Structure, Mechanical and Vibrational Properties of Single Walled Carbon Nanotubes (SWNT)
Exstrom Laboratories - Electronic Band Structure Calculations
Features - Theoretical and Computational Chemistry at Manchester University
First Principles Calculations
Group Publications 1997 -Keele Computational Physics Group
Important papers and books for electronic structure calculations
Kaxiras Group Publications
L.Kantorovich List of Publications
Large Scale Geometry Optimisation
Level IV Fitting Models to Data
Liste der Preprints - Numerical Simulations - Chemnitz Tech. Univ.
M. Gillan's Virtual Matter Laboratory - publications
MesoDyn Online! publications
Modelling and Simulation in Materials Science and Engineering Volume 7, Number 5
Modelling and Simulation in Materials Science and Engineering
NIC Series Publication series of the John von Neumann Institute for Computing
Nonequilibrium Working Group. Notes from Multi-Scale Seminars
Papers written by Neil Allan's group
Polarisation of crystals by point defects
Principles - Some semiconductor physics - Band structure
Prof. R. Jones Publications
Publications - N.E. Christiansen
Publications - QUB
Publications at
Publications of Electronic Structure Group at UIUC
Publications of the Band-Structure Group
Publications, Reports, Seminars, Colloqia (2)
Recent Publications J.R. Morris
Ronald E. Cohen Selected Research since 1997
Scientific Articles - MSI
SISSA-ISAS - Condensed Matter Sector PhD Theses
Talks and Posters - Nanotehnology - MD
TCM Group Publications
The Thermodynamic Modeling of Multicomponent Phase Equilibria
Theory Department Publications (FHI)
Thermodynamics of deep geophysical media
Theses at the Materials and Process Simulation Center
Virtual Journals in Science and Tehnology
Virtual Matter Laboratory publications


Cerius2 SDK
CHSSI CCM Tight-Binding Software for High Performance Computers
Computer Graphics Tools
Computer Physics Communications Program Library - Condensed Matter and Surface Science
Computer Physics Communications Program Library
Computers in Physics
CSIR Chemistry Software Exchange
ESM Software Software for Materials Science
Free Software for Atomic and Plasma Physics
IBIS Document Library - Program Index
Modeling Codes on the Internet
MSI OnLibrary
NanoCAD, a freeware nanotech design system in Java
NRL Code 6390 Home Page
Quantum Chemistry Program Exchange
Scalable Materials Science Software
Software - ARL MSRC
Software at Computational Materials Science Group
Software Directory - Mathub
Solid modeling
Solid State Division - ORNL
The MesoDyn Home Page
The virtual atomic calculator. Mott-Littleton defect calculations on the net
Universal Molecular Modeling Software List
Welcome to AVXM Partnership

Surface Science

homepage of spm
Interface chemistry, colloids and catalysis
Surface Science Manchester UK.
Surface Science Research Centre Homepage
The Molecular Collisions Page.

Conferences, Workshops

ESF workshop Structures and properties of inorganic crystals from theory and experiment


Applied Surface Science
Journal Surface Diffusion and Surface Structure
Progress in Surface Science
Surface and Coatings Technology
Surface Science (including Surface Science Letters)
Surface Science Reports
Surface Science


Cambridge University Surface Physics Group
Canadian Surface Science links
Chemistry Links for Chemists Reference Surface Science
Discussion Groups, Weblists and Academic Web Pages
Dynamics of Gas-Surface Interactions WWW-Servers
jeong-won kang working area
Links for Surface Science (Canada Page)
Links Surface Science Pages
Links to Databases
Links to other surface science pages
Links to things - Dr G. Darling
Particle-Surface Resources on the Internet
Reference Shelf for Particle-Solid Interactions
Related Links in Surface Science
Research in particle-solid interactions - Home pages list
Research in particle-solid interactions
SIMS links
Some information on ion range calculations
SSD (Surface Structure Database)
STM related Internet Resources
Surface Chemistry Resources
Surface Links and Resources - The Koel Group at USC
Surface Links
Surface Science - Related Links
Surface Science Forum
Surface Science Group - Useful Links
Surface Science Index - Canada
Surface Science Index
Surface Science Laboratories' Resource Links
Surface Science Links (QMW)
Surface Science Links @ Queen Mary, Univ. of London
Surface Science Links
Surface Science Mailing List
Surface Science Western
Surface Scientists Worldwide © 2000 Xing-Cai Guo
Surface Theory Web Center
The Surface Science Forum Links
The UK and Ireland Surface Science Net-Community
Useful World Wide Web Links
Van Hove - Surface Picture Gallery
Van Hove Web Links


Surface Science Laboratories' Resource Links
The Surface Science Forum Links
Van Hove Web Links

People and Groups

Adnan Abdul-Baqi
AG Skibowski Electronic Structure of Solids and Surfaces
Alar Jänes
Alexander Kraus, Homepage
Anna's Place
Atomic Physics Utrecht - Research - Ion Surface Interactions Theory
Atomic Structure of Interfaces, Dislocations, and Defects
Atomic-scale Surface Science Research Center at Yonsei Univ.
Atomistic Simulation of Solids and Surfaces
Bio for Kai-Ming Ho
Cambridge University Surface Physics Group
CAMP Homepage
Catherine Stampfl
CAU Kiel Schattke group home
CCP3 - Simulation of physical and electronic properties of surfaces and interfaces
Computational Surface Chemistry
Computational Surface Physics
Condensed Matter Theory Project
Crystal-TRIM - Forschungszentrum Rossendorf
Dan Thomas Homepage
Dario Alfè - Surface Catalysis
Dario Alfè current research interest
Dario Alfe
David Bird's Home Page
Dion Harris Exists
Dipartimento di Chimica - Chimica Fisica delle Interfasi e Superfici
DL Surface Science
Dr. Furio Cora'
Dr. Josie Setzler
Dr. Julian Talbot
Dr. Slump's Home Page
Duncan Harris
Dynamics of Gas-Surface Interactions - European Science Foundation
Dynamics of Gas-Surface Interactions
Eduardo M Bringa's research - Electronic Sputtering and Track Formation
Electronic Structure of Solids - Surface, MSC
EMSL Scott A Chambers
EMSL Web Tour - EMSL 1114 Surface Dynamics and Photochemistry
EPR & Surface Group Torino
ESF - Physical and Engineering Sciences - STRUCa
Eunja Kim's Home Page (kr)
Franco Jona
George Darling
Gerraldine L. Richmond
Guo's Home Page
Helena Fornander, Dept. of Physics, IFM
Heterogeneous catalysis and surface science
Home of J.C.H. Spence
Home Page for Prof. Greg Sitz's Lab
Home page of Bo Hellsing
IAP - Surface Physics
ICTP-CM Research Profile Surface and Interface Physics
Interface Magnetism
Introduction Section of Surface Group
IRC in Surface Science Homepage
John Hollifield's Home Page
Jónsson research group home page
Kai Nordlund
Kai Nordlund's - implantation simulation
Kai Nordlund's WWW home page
Kang Hway Chuan
KAST Surface Chemistry Laboratory
Keith Beardmore's Homepage
Kern Group, Laboratory of Surface and Nanoscience
Knut J. Børve
Laboratory for Atomic and Surface Physics - Univ. Virginia
Laboratory of Surface Reaction Dynamics,Japan
Langreth home page
Mai Ghaly Home Page
Marcus Karolewski
Markus Karolewski Home page (SIMKIT Program)
Member of Ion Beam Engineering Experimental Laboratory
Michal Ondrejcek - Dpt. of Thin Films
Modeling Solid-Liquid Interfaces
Molecular Beams & Dynamics Group
MRSEC - Carnegie Mellon - research
NM Harrison's home page
Ohio U. CMSS Theoretical Condensed Matter and Surface Science
Ohio University CMSS
Particle-Solid Interactions Web server
Particle-Solid Interactions
Particle-Surface Interaction Dynamics
Particle-Surface Resources on the Internet
Physical Chemistry, Surface Dynamics
Prof. Dr. Roland Feder
Prof. G P Srivastava's Group - Electrons and Phonons in semiconductors
Professor David King
Professor Hicks
Professor Richard Lambert
Psi - Electronic structure of solids and surfaces
Rajiv Shah's Research interests
Reference Shelf for Particle-Solid Interactions
Research Group of Prof. Rösch
Research Profiles - Materials and Surface Theory
Research- Surfaces and Interfaces
Rich Masel's Research Program Putting The General Science Back In Surface Science
RLE - Surfaces and Interfaces Group
Robert Averback
Rough Surface Scattering Theory
Royal Institution researcher homepage P.V.Sushko
RSC Solid Surfaces Sub-Group
RUU Atomic and Interface Physics
saiki profile
Salmeron STM-AFM Group
Scanning Tunneling Microscopy
Secondary Ion Mass Spectrometry (SIMS) Home Page
Server of the Solid Surfaces Group
SJG Surface Science Research Group Publications
SJG Surface Science Research Group Research Interests
Soo-Y. Lee
Stephen Holloway
Steve Parker
Surface Analysis Research Centre - NERC Report Summary - Stratospheric Ozone Depletion
Surface Analysis Society of Japan
Surface and Materials Science at ISA
Surface Chemistry, Dept. of Chem., Univ. of Copenhagen
Surface Physics Department - Fritz-Haber-Institut der Max-Planck-Gesellschaft
Surface Physics Group - Home Page
Surface Physics of the MLU Halle, Germany
Surface Physics SISSA Group
Surface Science & Catalysis - SG
Surface Science and Nanotechnology
Surface Science at UWEC
Surface Science Division, Univ. Utrecht
Surface Science Forum
Surface Science Group, Prof. Dr. Klaus Christmann
Surface Science Group
Surface Science Index
Surface Science Lab - Singapore
Surface Science Laboratories
Surface Science Mailing List
Surface Science Research Centre Homepage
Surface Science Research Centre UK
Surface Science Western
Surface Structure Lab, Stony Brook
Surface Structure Lab
Surface Structure, Dynamics and Catalysis - Group members
Surface Theory Home Page - M.A. van Hove
Surface Theory Home Page, Van Hove
Surface Theory Home Page
Surface Theory Web Center
Surfaces and Interfaces Group
Tapio's homepage at HUT and HIP
TCM Research in Complex Processes in Solids and on Surfaces Studied by Electronic Structure Calculations
TFSG - The Thin Films and Surfaces Group
The Gas-Surface Dynamics Page
The Koel Group Surface Chemistry - University of Southern California
The Materials and Surface Physics Group
Theory Department - Fritz-Haber-Institut
Theory Department Prof. Dr. Klaus Hermann
Theory Department Weixue Li
Thomas Seyller - Physisorption Systems!
Tsukada Group, Solid State Physics
UM-StL Scanned Tip and Electron Image Lab
University of Linz - Atomic Physics and Surface Science
University of North Texas Surface Science Laboratory
Uwe Birkenheuer, MPI-PKS Dresden
Van Hove Home Page
Welcome to the Rappe Group


Kaxiras Group Publications
MD simulation of H-terminated diamond surfaces
Particle-Surface Resources on the Internet
Projects, Surface Physics SISSA Group
Sub-fields of NSF Fields of Science
The CAMP Open Software Project (CAMPOS)

Publications and Tutorials

4.6 Supercell calculations
A theoretical investigation of gas source growth of the Si(001) surface
Acid-base catalysis in zeolites from first principles
Adsorption of Formic Acid on MgO(100) Surface
ALS Workshop Proceedings - Van Hove
An Introduction to Surface Chemistry, Dr. Roger Nix
An Introduction to Surface Chemistry
Annual Report 1999 - Interfacial and Processing Sciences
Atomic and ion collisions in solids and at surfaces
Auger Theory Contents
Barbara J. Garrison - Publications
Bath Publications
CAMP Aarhus Publications
CASTEP Publications Surfaces
CAU Kiel - Publications
CEA Literature
CEA Tutorial
Chemical Engineering SP2 Abstracts - Ab-Initio Geometric and Electronic Structure Calculations for Metal Oxide Surfaces
Chemisorption and chemical reactions
Chemisorption of H2 on MgO(100)
Classical dynamics simulation of projectile-surface interactions
Collision Induced Desorption of Hydrocarbons Physisorbed on Au(111)
Complex Systems Theory Preprint-Reprint Server
Contributed talks at Cat96
Databases for Atomic and Plasma Physics
David H. Gay (Publications)
Dayle Home Publications
Dissociative Adsorption of Hydrogen on Pd(100)
Dynamic image potential at an Al(111) surface
Electron Energy Loss Spectroscopy (EELS)
Electron spectroscopy
Elsevier Science Browse - Solid surface modeling
F-Centers on the MgO (001) Surface
Gas-Surface Dynamics
Gregs SIMS Graphic Archive
Hydrogen Collision Dynamics on a Rough Nickel Surface
Implementation of Kinetic Monte Carlo simulations
Introductions to Many Surface Science Techniques
Ion-surface scattering publication list
Kai Nordlund's publication database
Kai Nordlunds research interests
Langreth publication list
Major Published Papers
Modern Surface Physics - Tutorials
Molecular Dynamics Study of Non-Equilibrium Energy Transport from a Cylindrical Track I Test of ``Spike'' Models
NH3 Adsorption at the MgO(001) Surface
NIST Surface Structure Database (SSD)
Nonequilibrium Processing of Materials Using Beams of Particles and Clusters
Online Surface Science Tutorials and Lecture Courses
Pd-MgO(001) Model Catalysts, Licentiate Thesis
Peter V. Sushko List of Publications.
PhD thesis, Rajiv Shah
Photodissociation of HCl+ on MgO(001)
Photoelectron Diffraction
Photo-initiated Surface Aligned Reaction of HBr + CO2 on LiF(001)
Principles Of Adsorption And Reaction On Solid Surfaces
Project - Predictive Modelling of Catalyst Preparation and Catalytic Reactivity
Proyecto Defectos Locales.
Publications - Professor Steve Parker
Publications Electronic Structure & Surface Science Group, Publications
Publications of Peter E. Blöchl
Publications, Uwe Birkenheuer, MPI-PKS Dresden
Recent Publications Dr Andrew Hodgson
Report of the 1990 ALS Workshop on CHALLENGES FOR INTERFACE THEORY
Research Projects and Publications - Van Hove
Scanning Tunneling Microscopy of Epitaxial Oxide Films
SIMS Intro
SIMS Theory Introduction
SIMS Tutorial Information on the Internet
Some information on ion range calculations
Stopping Power for Light Ions
Structures of Pure and Ca-Segregated MgO (001) Surfaces
Structures of sulfur on palladium (111) created by adsorption and segregation of sulfur, Thesis
Surface Electronic Structure of MgO
Surface physics course 1999-2000, SISSA
Surface physics course 1999-2000
Surface Physics SISSA Group
Surface Science (including Surface Science Letters)
Surface Science Course EP734 - MSE722
Surface Structure and Interpretation
Surfaces and Interfaces of Materials and Biomaterials
Takaaki Aoki's Works and Papers
TCM Publications on Electronic Structure Calculations
The intermolecular potential energy surface of CO#tex2html_wrap_inline76#-Ar and its effect on collisional energy transfer
The mechanisms of low energy proton stopping in hydrogen
The Surface Energy of MgO
Theoretical Chemistry, TU Muenchen, Dr. habil. Uwe Birkenheuer
Theoretische Chemie, TU Muenchen, Dr. Konstantin Neyman
Theory Group Publications 1992-6
Theory Photoelectric Effect
Thesis at Surface Science Division, Univ. Utrecht
Thesis Clean and hydrogenated diamond and graphite surfaces
Trajectory Simulations of Gas-Surface Scattering
Van Hove full publication list
Van Hove Picture Gallery
VH full publication list
Web-based Resources in Surfaces and Thin Films
Welcome to Atomic Collisions, version May 1996
Welcome to the Rappe Group


BALSAC pamphlet
Beam Dynamics Software
CLUSTER Manual, Table of Contents
Crystal-TRIM - Forschungszentrum Rossendorf
CSE - DL Visualize
Grape online manual
Guide to Surface Science Software
MARLOWE code - SSD, ORNL (BCA Approx)
MARVIN - Minimisation and Relaxation of Vacancies and Interstitials for Neutral Surfaces
MSCD Overview
Rare Event Enhanced Domain (REED) Molecular Dynamics
Reference Shelf for Particle-Solid Interactions
Research Programs in the Solid State Division
Simulation for Atomic Collisions in Solids Software (SIMKIT)
Software - Principles Of Adsorption And Reaction On Solid Surfaces
Software for Simulation of Atomic Collisions in Solids
Surface Science Division, Univ. Utrecht
Surface theory and simulation codes
The MDRANGE (MDH) program
The Surface Science Forum software
Theoretical Atomic Collisions - Codes
Van Hove Software and Databases


Argon impact on polyethylene.
Chemisorption and Vibration of Hydrogen on Cu(111)
MSCD Sample Data Files
Na on the Al(111) surface
NH3 Adsorption at the MgO(001) Surface
Oxide surface chemistry
Oxygen adsorption on platinum New high-coverage structures
Photodissociation of HCl+ on MgO(001)
Potassium adsorption on TiO2 (100)
Projects LEED highlights
Simulation of Surface Relaxation and Reconstructions
TiO2 Surface chemistry from first principles


Class Materials Index
Common Molecules
Complex Systems Theory Preprint-Reprint Server
Composite Materials
Links to Molecular Library
Molecular Library
Molecular Modeling Lab.
MSI - Complete listing of case studies by application area
Research Areas in Materials - Materials For Energy Conversion

Carbons (Graphyte,Diamond)

Calculation of the bulk modulus of possible hard carbon structures
Carbon and Related Structures
Carbon Anions - Macromolecular Modelling
Carbon Molecules Page
Computational Studies of Hydrogen on Diamond, Silicon Surfaces
DIAMOND (Carbon)
DNA Molecules Page
Dynamic Properties of Interstitial Carbon and Carbon-Carbon Pair Defects in Silicon
Electronic Structure Methods With Applications to Amorphous Semiconductors
Graphite Page by John A. Jaszczak
hetero-Si studies
Interfacial and Prcessing Sciences - 6. Interfacial Properties and Reactivity
Lew Yan Voon, Lok C. - Empirical Tight Binding Model
Mechanical properties of Diamond
QM(DFT) and MD Studies on Formation Mechanisms of C60 Fullerenes
Recent work with Tight-Binding Molecular Dynamics at Ames Lab
Single Wall Carbon Nanotubes - Modelling
Stability and cohesion of silicon clathrates
TBS of Amorphous and Liquid Carbon
The Diamond Crystal Lattice Structure
The Graphite Crystal Lattice Structure
The Nanotube Site
Thesis Clean and hydrogenated diamond and graphite surfaces
Tight-Binding Molecular Dynamics Simulation of the Growth of Diamond
Tight-Binding Molecular-Dynamics Studies of High-Energy Grain Boundaries in Semiconductors
Tight-Binding Study of Tilt Grain Boundaries in Diamond

Liquids and Liquid Crystals

MBSF Project - Nonequilibrium Molecular Dynamics
NEMD - Supercomputing '96 Paper
Report List

Metals and Alloys

Calculations of Electronic Properties of Metal Surfaces and Superlattices.
EoS - skiagite II
Results for bulk materials of interest to ASCI
structure and some physical properties of titanium diboride
Thermodynamic and Mechanical properties of metals and Alloys


Band and local properties of the electronic structure of NiCl2
Calculated Electronic Structure and Transport Properties of La.67CA.33MnO3
Carbonate Minerals
Computer Modelling of Ceramics
Hydroxide Minerals
Molecular Geochemistry of Clay Mineral Surfaces

Oxide Materials

Ab initio calculation of the electronic structure of SnO2 (ASW-DFT-LDA)
Abstract MgO dust nucleation in M stars Calculations of cluster properties and nucleation rates
ACTA MATERIALIA , 1998 46(18)
Acta Materialia, Vol 45, Issue 2, February 1997
Actual research projects
An ab-initio Hartree-Fock study of the Enthalpies of Mixing of MgO-MnO, NiO-MnO and CaO-MnO solid Solutions
An Introduction to Ionic Compounds
annealing effect on MgO(001)
Atomic Simulation of ElectroOPtic and Magnetooptic Oxide Materials (Springer Tracts in Modern Physics, 151) by Donnerberg, Hans
Band and local properties of the electronic structure of NiCl2
Bonding in Inorganic Materials
Calculation of the NMR shielding of O in MgO at high temperature - Physics and Chemistry of Minerals - 25 (1998) 453
Caltech ASCI-ASAP Materials Properties
CASTEP Publications Defects in Solids
CASTEP Publications Minerals, Oxides and Compounds
Ceramic Links
Ceramic Oxides
Ceramics Articles
CLIC enhanced Faraday Transactions article
Computer Simulations Displacement Energies (MgO, ZnO,..)
CSE - People - Vic Saunders - Publications
Current First Principles Calculations Research
Defect Energetics in MgO
Defects in ionic compounds.
Defects in Metal Oxides
Diffusion in MgO at high pressure Implications for lower mantle rheology
Effect of crystal potential on dynamic polarizability of negative ions - TheoChimActa -93,1996,177-189
Electron spin localisation and correlation effects for point defects in semi-ionic solids
Electronic publication
Electronic Structure of a Polar Ceramic-Metal Interface (222) MgO-Cu
Electronic structure of F, -center in MgO
Elson Longo - MgO
Embedded-cluster Study of Core-Level Binding Energies of Magnesium and Alkali Impurities at the Surface of MgO
Epitaxial Growth of MgO - NiO Multilayers on NiO (100) Substrates
ESF workshop Structures and properties of inorganic crystals from theory and experiment
Excitation and Ionisation energies of MgO(001) Surface
Group of piezolelectric materials - IFTM
Group Publications 1992-3
HF Study of Chemical Bonding in Crystalline Titanium Oxides
How can ab initio calculations be an effective tool for the study of mineral properties
Influence of Crystal Lattice Defects on Exchange-Bias Films
Inorganic Materials Chemistry Experiments
J. Zhu , S. K. Singh, P. A. Thomas, S. B. Palmer Crystalline Properties of Strontium Barium Niobate Thin Films (MgO)
Korth Kristalle GmbH - CaCO3 Properties
Magnesium Oxide (MgO) Data Sheet
Magnesium Oxide (MgO) from READE
Magnesium Oxide and Magnesium Hydroxide - Premier Chemicals
Main Index of the CeramicsWeb
MgO Magnesium Oxide Single Crystal Substrates - SPI Supplies
MgO Phase Diagram from First Principles
MgO Using Bond-Valence Pair Potentials and Multiple Scattering Analysis
Mineralogy database and classification
Modeling and Simulating Oxide Network Materials
Molecular Dynamics Study of Premelting in MgO Clusters at High Pressures
Molecular Simulations of Clay Mineral Surface Geochemistry
Morphology of MgO (111) Surfaces Artifacts Associated with the Faceting of Polar Oxide Surfaces into Neutral Surfaces
MTU - Physics - Pandey - Publications
NIST Property Data Summaries for Magnesium Oxide ( MgO )
Oxide Minerals
Oxide Structures & Networks
PERICLASE (Magnesium Oxide)
Phase diagram of MgO from DFT and MD
Photodissociation of HCl+ on MgO(001)
Prediction of Materials Properties
Proposal ab initio calculations as an effective tool for the study of mineral properties
Quantum Mechanical investigations of Transition Metal Oxides
Ronald E. Cohen Selected Research since 1997
Semi-empirical calculations of defects in oxide crystals.
Static Dielectric Constants MgO Structure
Structures of Simple Inorganic Solids
The atomic and electronic structures of radiation-induced defects
The mechanism of tritium diffusion in lithium oxide
The Structure and Reactivity of Surfaces. MgO
The Surface Energy of MgO
The virtual atomic calculator. Mott-Littleton defect calculations on the net
Thermodynamic parameters of minerals at normal pressure and twovalues of temperature
Thermodynamics of deep geophysical media
Three-Phase Model of the Elastic and Shrinkage Properties of Mortar.
Tin_Doped_indium Page
Titanium Dioxide
Titanium Sapphire Laser (Ti3+Al2O3)
Topological Defects Phase Transitions Network


CCP13 Fibre and Polymer Diffraction
Center for Polymer Research
Chemistry@Surrey PCI Laboratory
CHEOPS - Polymer, Copolymer Physical Property Calculation and Design Program - Askadskii, Bicerano, Van Krevelen
Computational And Theoretical Polymer Science
CWRU Intro to Polymer Eng
CWRU Macro. Science
D. Thirumalai, Theoretical Chemistry, UMCP
ETH Zurich -- Polymer Physics
Learning Polymer Science Over the Internet - The Polymer Science Learning Center
Massively Parallel Simulations of Diffusion in DensePolymeric Structures
Modelling & Simulation Homepage
Modelling and Simulation Homepage
Molecular dynamics computer simulation of chain molecules
Monte Carlo simulations of polymers
NIST Materials Science and Engineering Laboratory - Polymers Division
NIST Polymer Composites Frederick R. Phelan Jr.
Polymer adsorption
Polymer Chemistry Course
Polymer Modeling and Simulation Group
Polymer Physics at Bristol University
Polymer Physics
Polymers Tutorial
Prof. Cheng
Publications CPG Heermann
Russell Thompson's Home Page
Sanat K. Kumar - PSU Materials Science and Engineering Faculty
SciPolymer - Polymer Properties Estimation Software - Polymer Database
Simulation of Liquid Crystal Anchoring at Polymer Surfaces
So Hirata - abinitio modeling of polymers
Structure-Property Relationship
The Polymer Science Learning Center
Theoretical Condensed Matter Physics, Polymer Physics, and Statistical Mechanics
University of Milano - Theoretical Polymer Group
USM School of Polymers and High Performance Materials
Warwick Polymers Group Page


Electronic Materials
Electronic Structure of Amorphous Insulators and Photo-structural Effects in Chalcogenide Glasses
Institute for Microelectronics
PhD Thesis - Advanced Process Modeling for VLSI Technology
Publications - PhD Theses
Semiconductor Physics Group
Tight-Binding Molecular-Dynamics Studies of High-Energy Grain Boundaries in Semiconductors


silicon clathrates, thesis


Titanium Dioxide -

Water, ice and Clathrates

!TITLEFire and Ice The Nature Of Natural Gas Hydrates!-TITLE
[ccp4bb] stable Ih ice and P63-mmc space group
[MMTK] bulding water ice; problems with Peter's code
1.10.3 Thin Ice
6. Ice crystal growth and evaporation
65A-25 Determination of molecular dynamics and state diagrams in ice cream and its model solutions
7. Cloud Electrification
A new form of ice
A Parallel Molecular Dynamics Code for the Simulation of Ice and Hydrate Crystal
A Parallel Molecular Dynamics Code for the Simulation of Ice and Hydrate Crystal Structures
A review of theoretical and observational studies in cloud and precipitation physics 1991-1994
Ab-Initio Study of HCl and HF Interaction with Crystalline Ice
About Water and Ice info Molecular motions in ice
Amorphous and Crystalline Ice Growth - Washington
Amorphous and Crystalline Ice Growth
Anita Robinson Brown, Adsorption of HOCl on Ice Ih
Anomalous State of Ice
Anthony Stone - Publications (water - ice)
Anthony Stone Publications
Anthony Stone Supplementary material
Articles by Alex Kaivarainen
atmospheric website
Atomic Arrangement in Ice Crystal
Atoms, Molecules, Water, and pH
Basic Research Ice Properties and Processes
Bits of Ice XI and Ice XII
Book Review (1) - The Physics of ice
Bulk Materials Clathrates
Carlo Cavazzoni Phd Thesis
CDR RS - Glace (J. Suzanne)
Centre Européen de Calcul Atomique et Moléculaire
CHEM 331 Water Molecular Orbitals - Graphics
CHEM 331 Water Molecular Orbitals
Chemistry Tutorial - Water
Cirrus Optical Properties - hexagonal ice
Clathrate hydrates - MKI
Clathrate hydrates, or gas hydrates
Clathrates (Simulations of the Methane Hydrate- Methane)
Clathrates, Freezing and Crystal Liquid Interfaces
CLIC Enhanced Article
CMMP Ices and Gas Hydrates
Coherent charge transfer in the hydrogen bond in ice. A Compton scattering measurement
Composition and Structure of Interstellar Ices
Computational Analysis of Clathrates Jens Kortus
Computer Simulation of Astrophysical Ices
Covalency of the Hydrogen Bond in Ice- A Direct X-Ray Measurement
CRREL Library - Current Literature March 1998
Crystalinization of amorphous water - article
Dale A. Huckaby
Diffusion and Island Formation on the Ice Ih Basal Plane Surface
Division of Geoscience
Division of Physical Chemistry - 218th ACS National Meeting
DPPC lipid membrane bilayer
Dr Clive Saunders
Dr. Igor M. Svishchev
Dr. R. Jones publications by date
Dr. R. Jones publications by first author Jones
Dr. Ronald J. Bakker
Dynamics home page - ice article
Dynamics home page (water,ice)
Dynamics of Argon Collisions with Water Ice
E_Haymet - Ice-water Interface.
Electron Sharing and Covalent Bonds
Electronic Structure of Bulk Water
Electronic Structure of Crystalline Ice and Its Implication to the Residual Entropy.
Empirical & semi-empirical MO theory - EHM Example 2 Water
Energy transfer in water
Erland M. Schulson - Ice Research Laboratory, Thayer Faculty
ESRF Highlights 1995-1996 Inelastic Scattering
ESRF Highlights 97-98 - Coherent charge transfer in the hydrogen bond in ice- a Compton scattering measurement
ESRF Highlights 97-98 - Electronic States and Lattice Dynamics
Exact Coincidence Site Lattice in ice Ih
Experimental Thermochemistry of Clathrate Hydrates
Explicit Outer Bonding Transformations in Liquid Water
F. Muguet - Towards a multi-attractor model of liquid water.
faraday paper abstracts
Fig. 54- Experimental Compton profile anisotropy (dots) in ice Ih
Figure 1 Ordered model A of hexagonal ice Ih
Figure 2 Computed NMR chemical shift (in ppm) of hydrogen in ice Ih
George E. Walrafen
Gísli Hólmar Jóhannesson -Ice Project
Gordon Research Conference Interaction of Water with Solid Surfaces
Greenland Ice Core Project (GRIP)
Guile Mailing List Archive Re what does `ice' stand for
H2O2 Potential Energy Surface
Hannes Jónsson, Hannes Jonsson
HCl colliding with an ice Ih surface hexagon
Hexagonal ice (Ice 1h; Chime)
Hexagonal ice (Ice Ih)
Hexagonal ice
Home Page for Prof. Greg Sitz's Lab
Homepage of Patrik Andersson
hydrate - encyclopedia article from
Hydrogen Bond Disorder in Ice Structures
Hydrogen formation on cosmic dust an overview
ICE - Short Description
Ice -
ICE (Hydrogen Oxide)
Ice and its crystal structure - Links
Ice and its crystal structure
Ice Crystal Surface Physics
ICE H2O Hexagonal
Ice Mineral Data
Ice Modeling
Ice Physics in the UW Physics Department
Ice Physics The UMIST Affair
Ice Research Laboratory Home Page
Ice Temperatures in the Outer Solar System
Ice(0001) - melting
Ice(0001) - Picture
Ice-Crystal Mechanisms the formation of freezing rain
Influence of surface defects on the adsorption of HCl on ice
InSCIght - 8 April 1998 Atomic Ice, Slick Like a Liquid
International Arctic Buoy Programme (IABP-PSC-APL-UW-US)
Introduction to Ice Carving II - The Structure of Ice
Investigation of the Reaction of HCl and Ice
John Finney - Ice Studies
John Finney
K-12 Water Module
KDI Ice Growth Project
Kenichiro Koga - Main Publications
Lieb's Square Ice Constant
Light Crystallizes Ice
List of Publications - LArs Ojamae (ohio-state)
List of Publications - Lars Ojamae
Lone Pairs and the Molecular Electrostatic Potential of Water
M. Neumann
Mail Index obout water
Marcus Svanberg's homepage
Masahiko Arakawa
Max Planck Weekly Research Report - Applied Physics-Condensed Matter-Materials Science
MBSF Project - Manuscripts
McMaster MSE Faculty & Staff Faculty Weatherly, G. C.
Mechanical Properties of Saline Ice
Methane Gas Hydrate
mki Uni Goettingen
Modelling H5O2+.
Modelling H5O2+
Molecular Beams - H2O ads
Molecular crystals - Crystal Publication list
Molecular Dynamics Simulation of Liquid Water.
Molecular Dynamics Simulation of Liquid Water
Molecular 'ice cubes' reveal secrets of water's properties
Molecular Mechanisms in Water
Mu Shik Jhon
MYSTERIES OF WATER Simulating Small Water Clusters
National Ice Center
National Snow and Ice Data Center
NSIDC Publications New Accession List No. 69-72
O.I. Levik Hydrate Site
On the defect structure and molecular dynamics of doped ice and natural snow
Optimization of the cyclone geometry for the separation of water in oil dispersions
Periodic Hartree-Fock Studies of ice VIII.
Periodic Hartree-Fock Studies of Ice VIII
Pete's Homepage
Phonon Modes in Ice II.
Physical properties of hydrates and ice
Physical Properties of Ice - Snow Crystals
Physical Properties of Ice Ih at 0 C
Physical Properties of Ice
Physical properties of water with IE structures
Picu, Catalin
Polymer Modeling and Simulation Group
Pressure-Tuned Fermi Resonance in Ice VII
Prof.Dr.Werner F.Kuhs
Professor Jisoon Ihm
Project - Simulation of the crystal structure of ice
Project 87 - Mechanical Properties of Saline Ice
Project Simulation of the crystal structure of ice
Protonated Water Clusters
Publications - Chalmers
Publications LCTN
Publications of Hannes Jónsson
QSCP4 paper Bibliography - Water
Quantum Effects in the Structure of Ice
Re What holds the atoms together in a real water molecule
Re WSN ice coordinates (fwd)
Réactivité de surface de la Glace
Rearrangement of the hydrogen bonded network of the clathrate hydrates encaging polar guest Mole. Sim., 1996, 16, 151.
Scientific American Explore - Water's Bonds January 25, 1999
Scientific American Explore! Water's Bonds January 25, 1999
Session Y21 - Phase Transitions in Ice II.
Snow Crystal Research - Electronic Microscopy
Snow Crystal Research
Snow Designer's Page
Solar System Ices Planetary Physics Coursework
SPC-E water results
SPC-E water
Springer LINK Journal of Molecular Modeling - M.F. Ruiz-López A Hybrid Density Functional-Classical Molecular Dynamics Simula
Static and Dynamical Properties of Ice Ih
Statistical Geometry of Water Structure
Structural Data on the Phases of Ice
Structural disorder in the ices
Structure and Phonons of the Ice Surface
Structure of Ice - Slides
Structure of Ice
Structure-Property Relationships
Summary, Amorphous and Crystalline Ice Growth
Super D2B - high resolution powder diffractometer New High Pressure Phases of Ice (W. Kuhs, W. Finney et al.) D2B (1998 ILL Rep
Supercooled water Liquid-liquid phase transition and new critical point
Supercritical Water Oxidation
Surface chemistry on Titan.
Surface difussion of water on ice using molecular dynamics
Surface Water Models and Modeling-Modelling Links
tech- ice crystal prevention via sound waves
The crystal structure of hexagonal ice (ice-Ih)
The flying ice cube Velocity rescaling in molecular dynamics leads to violation of energy equipartition - Volume 19, Number 7,
The Ice Rules - MKI
The mineral ice - Properties
The mineral ice, Gemstone Kingdom
The mineral ice
The Molecular Surface Structure of a Low-Temperature Ice Ih(0001) Crystal
The Physics of Ice '
The Physics of Ice
The Remarkable Water Molecule H2O
The Secret Nature of Hydrogen Bonds - AIP
The Secret Nature of Hydrogen Bonds
The Structure and Mechanical Behavior of Ice
The Structure of Ice and its Role in Stratospheric Chlorine Nitrate Chemistry Introduction to
The Structure of Ice and its Role in Stratospheric Chlorine Nitrate Chemistry Introduction to Ice Structure and Surfaces
The Water Dimer, Symmetries and ZPE Corrections According to Intermolecular Distance -The Internet Journal of Chemistry (IJC)
Theoretical Study of H+ Translocation along a Model Proton Wire
Thermal Science Laboratory
Thesis Abstract
Thesis Clean and hydrogenated diamond and graphite surfaces
TIP4P Water Clusters - Structures
TIP4P water clusters
TIP4P water
Trout group - papers
USGS Fact sheet Gas (Methane) Hydrates -- A New Frontier
UW Department of Atmospheric Sciences
Water -- Multimedia -- Encarta ® Online Deluxe
Water - Properties
Water and Ice
Water Clusters - Bernd Hartke
Water dimer intermolecular vibrations
Water Ice Optical Constants
Water Module
Water properties & water surface tension. Water molecule dipoles.
Water related links
Water rotation in ice & BPTI
Water Rotations and Vibrations
Water Science for Schools USGS - water information
Water Science for Schools USGS water information
Water Science Homepage
WATER Structure & Properties
Water structure (illustration)
Water structure and properties
Water Structures
Welcome to Marcus Svanberg's homepage
Work on ice at NASA-Ames Research Center's Space Science Microscopy Lab
WorkPage 90235g World Locator for New Research
WWW-MINCRYST (search results)


Acid Sites (Draft)
Acid-base catalysis in zeolites from first principles
An introduction to Zeolites and Molecular Sieves-UMIST
Bernard Delley, PSI
Botanic garden of defects in zeolites. A theoretical approach
Computational Chemistry Carl Mark Windsor
Computational study of framework vibrations in zeolites
Continuation Report - Zeolite Catalysis
CRYSTAL - Publications 1981-2000
Current Applications of Zeolites
Introduction of Zeolites -
Methanol adsorption on zeolites
Mineral Gallery - The Zeolite Group
National Zeolite Industries - Introduction to Zeolites
PhD thesis, Rajiv Shah
Poster presented at International Zeolite Conference 1998,
Rosemarie Szostak, PhD - General Zeolite Information
Structure types
The active sites of microporous solid acid catalysts
The Zeolite Researchers' List Index page
Zeolite Conference-Zeolite Web Sites
Zeolite Home Page
Zeolite Researchers' List
Zeolites at Bath
Zeolites properties
zeolites WWW refs
Zeolyst International

Groups and Persons

Harald Tepper - Alkane diffusion in zeolites
International Zeolite Association (Structure Commission)
Professor Geoffrey L. Price Zeolite Page
Robert G. Bell


Atomic Structure of Interfaces, Dislocations, and Defects
Atomistic-Continuum Connection
Complex Systems Theory Preprint-Reprint Server
Computational and Theoretical Techniques for Materials Science
Computational Approaches to Nanotechnology
Computer simulation in Chemical Engineering
Course Overview for Atomic Scale Simulation
Crystal Growing for Students
Crystal Growing Guide
Crystal Lattice Structures
CS501 Introduction to Computational Science
Development and Applications of the Hartree-Fock Method in Materials Science
Eduardo M Bringa's research - Electronic Sputtering and Track Formation
Effect of Substrate Orientation and Deposition Mode on the Tensile Strength and Toughness of Nb-Sapphire Interfaces
Exstrom Laboratories - Electronic Band Structure Calculations
Hydrogen Abstraction Tool
Introduction and Background
Introduction to Mineralogy - lecture notes
MAST Overview - materials
Memorandum of electronic structure calculations and related studies (English edition)
Mesoscale Simulations of Deformation Substructureand its Evolution During Annealing
Molecular Dynamics and Nanotechnology Tutorial Overheads
Molecular Simulation Course homepage
Multi-scale MEMS Simulation Grand Challenge
NAB Documentation
Nanoscale Theory And Simulation
Present Status of Computational Condensed Matter Physics
Principles of Semiconductor Devices
Proton Transfer Reactions
Solid State Physics - Problems and Solutions
Solid State Physics by Mihaly and Martin
Theoretical studies of phase stabilities and electronic structure in molybdenum carbide
Tutorials - Leonid V. Zhigilei
tutorials - tutorials

Total links: 1543

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