All sites of Chemistry

Uppsala University: Division of Analytical Pharmaceutical Chemistry Uppsala University: Division of Analytical Pharmaceutical Chemistry
Uppsala University: Division of Analytical Pharmaceutical Chemistry- Research, education, publications, related links and profiles of staff at the biomedical center in Sweden.[bilingual] ...
UCSF: Pharmaceutical Chemistry UCSF: Pharmaceutical Chemistry
UCSF: Pharmaceutical Chemistry- Overview of department, research facilities, graduate program, courses, seminars, staff profiles and contacts at the University of California, San Francisco. ...
USP: Pharmaceutical Chemistry USP: Pharmaceutical Chemistry
USP: Pharmaceutical Chemistry- Details of BS undergraduate program at University of the Sciences in Philadelphia. ...
Simplified Introduction to Ab Initio Basis Sets. Terms and Notation Simplified Introduction to Ab Initio Basis Sets. Terms and Notation
Simplified Introduction to Ab Initio Basis Sets. Terms and Notation- An article by Jan K. Labanowski. ...
European Journal of Medicinal Chemistry European Journal of Medicinal Chemistry
European Journal of Medicinal Chemistry- Monthly publication for original papers, laboratory notes, short communications and invited reviews on organic synthesis, pharmacological activity, molecular modeling, drug design ...
Journal of Medicinal Chemistry Journal of Medicinal Chemistry
Journal of Medicinal Chemistry- Publishes original research on the correlation of molecular structure with pharmacological activity. Includes contents with structures and models, with details of online subscription and s ...
Pharmaceutical Chemistry Journal Pharmaceutical Chemistry Journal
Pharmaceutical Chemistry Journal- Monthly publication devoted to research on the creation, improvement of manufacturing technology of drugs and their intermediates. Includes contents and abstracts since 2000, with full t ...
ETH: Pharmaceutical Chemistry ETH: Pharmaceutical Chemistry
ETH: Pharmaceutical Chemistry- Employing molecular simulation from spectroscopic, X-ray crystallographic, isothermal and microcalorimetry data to study the role of sugar moieties within proteins for recognition and bindi ...
Kathlieke University: Laboratory of Pharmaceutical Chemistry Kathlieke University: Laboratory of Pharmaceutical Chemistry
Kathlieke University: Laboratory of Pharmaceutical Chemistry- Development and validation for analysis of drugs, using chromatography (LC, GC), capillary electrophoresis and mass spectrometry. Includes details of their co ...
The Cheminformatics and QSAR Society The Cheminformatics and QSAR Society
The Cheminformatics and QSAR Society- Organization for people involved in cheminformatics, or investigating quantitative structure-activity relationships in medicinal, agricultural or environmental chemistry. ...
AIChE Computational Molecular Science and Engineering Forum AIChE Computational Molecular Science and Engineering Forum
AIChE Computational Molecular Science and Engineering Forum- A unit of the American Institute of Chemical Engineers. Includes a listing of academic researchers and information on conferences sponsored or co-sponsored by ...
Seascape Learning Seascape Learning
Seascape Learning- Offers molecular modeling and bioinformatics services. Includes information on their products and services, as well as downloads of presentations and trial software. ...
Molecular Dynamics Molecular Dynamics
Molecular Dynamics- Includes an extensive tutorial, with sample programs in Fortran 90, and links to software packages. ...
EPSRC National Service for Computational Chemistry Software EPSRC National Service for Computational Chemistry Software
EPSRC National Service for Computational Chemistry Software- Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications. ...
Schrödinger, LLC. Schrödinger, LLC.
Schrödinger, LLC.- Producer of molecular mechanics packages for drug and biomolecular interactions . ...
NWChem NWChem
NWChem- Software for electronic structure calculation and molecular dynamics simulations. Includes documentation, information on how to obtain the software, and tutorials. ...
Journal of Molecular Modeling Journal of Molecular Modeling
Journal of Molecular Modeling- Publishes articles on life science modeling (including QSAR, data mining/bioinformatics, structure and substructure search), materials modeling, new methods, and computational chemistry in ...
Journal of Molecular Structure: THEOCHEM Journal of Molecular Structure: THEOCHEM
Journal of Molecular Structure: THEOCHEM- Publishes research related to the theory and modelling of molecular systems, including electronic structure, ab initio and semiempirical; graphical approaches to structure and pr ...
Computational Biology and Chemistry Computational Biology and Chemistry
Computational Biology and Chemistry- Publishes original papers and reviews in all areas of computational life sciences, such as nucleic acid and protein sequence research, molecular evolution, molecular genetics (functio ...
Journal of Computer Chemistry, Japan (JCCJ) Journal of Computer Chemistry, Japan (JCCJ)
Journal of Computer Chemistry, Japan (JCCJ)- Published by the Society of Computer Chemistry, Japan. ...
Journal of Molecular Graphics and Modelling Journal of Molecular Graphics and Modelling
Journal of Molecular Graphics and Modelling- Publishes original research on the development and application of molecular modelling in the study of molecular structure, function, interactions and design, including computa ...
Journal of Computer Aided Chemistry Journal of Computer Aided Chemistry
Journal of Computer Aided Chemistry- Published by the Division of Chemical Information and Computer Science, The Chemical Society of Japan. ...
Molecular Dynamics Molecular Dynamics
Molecular Dynamics- Focuses on parallel molecular dynamics: algorithms, benchmark timings, codes and simulation results. Includes several article references. ...
Tetrahedron Computer Methodology Tetrahedron Computer Methodology
Tetrahedron Computer Methodology- Journal that ran from 1988 to 1990 and was a pioneer in electronic publishing in chemistry. It published articles about the application of computers to chemistry, with some emphasis on w ...
Molecular Simulation Molecular Simulation
Molecular Simulation- Covers all aspects of research related to, or of importance to, molecular modelling and simulation (including informatics, theoretical and experimental work). ...
Agmon, Noam Agmon, Noam
Agmon, Noam- Molecular reaction dynamics in condensed phases; simulations of biomolecules (Hebrew University, Jerusalem). ...
Journal of Theoretical and Computational Chemistry (JTCC) Journal of Theoretical and Computational Chemistry (JTCC)
Journal of Theoretical and Computational Chemistry (JTCC)- Covers the development of fundamental theoretical methodology and computational algorithms to extensive numerical applications to specific scientific problems ra ...
Computational Chemistry Journals Computational Chemistry Journals
Computational Chemistry Journals- A list of journals known to publish articles about computational chemistry, even when the main focus of the journal is not computational chemistry. ...
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)- Publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. ...
Journal of Computer-Aided Molecular Design Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design- Publishes articles on the theory and the application of computer-based methods in the analysis and design of molecules. This includes theoretical chemistry, computational chemi ...
Journal of Computational Chemistry Journal of Computational Chemistry
Journal of Computational Chemistry- Publishes original articles on ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics ...
Journal of Chemical Theory and Computation (JCTC) Journal of Chemical Theory and Computation (JCTC)
Journal of Chemical Theory and Computation (JCTC)- Publishes papers reporting new theories, methodology, and/or important applications in quantum chemistry, molecular dynamics, and statistical mechanics. ...
Journal of Chemical Information and Modeling (JCIM) Journal of Chemical Information and Modeling (JCIM)
Journal of Chemical Information and Modeling (JCIM)- Covers topics such as database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of c ...
Heroes: Ernest Rutherford Heroes: Ernest Rutherford
Heroes: Ernest Rutherford- Detailed biography including bibliography ...
Rapaport, Dennis C Rapaport, Dennis C
Rapaport, Dennis C- Includes table of contents for his book, java applets for related courses, and articles on the development of this subject ...
The MD Group The MD Group
The MD Group- The MD Group is concerned with molecular and mesoscopic dynamics simulation studies of complex biomolecular systems such as biopolymers and lipid aggregates. ...
The Fritz Haber Center for Molecular Research The Fritz Haber Center for Molecular Research
The Fritz Haber Center for Molecular Research- The primary objectives of the center are to support research in molecular dynamics and encourage cooperation between German and Israeli scientists. The center supports theor ...
Center for Molecular Modeling Center for Molecular Modeling
Center for Molecular Modeling- Part of the Division of Computational Bioscience (DCB/CIT) of the National Institutes of Health. Research involves the development and application of theoretical and computational methodolo ...
Frontiers in Fermion Quantum Monte Carlo Frontiers in Fermion Quantum Monte Carlo
Frontiers in Fermion Quantum Monte Carlo- Lecture notes from a 1999 conference. ...
Monte Carlo Simulation Monte Carlo Simulation
Monte Carlo Simulation- Explains how Monte Carlo simulation works and offers GoldSim, a tool for visualizing and dynamically simulating nearly any kind of physical, financial or organizational system. ...
Bayat, Hanif Bayat, Hanif
Bayat, Hanif- PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works. ...
Pyykkö, Pekka Pyykkö, Pekka
Pyykkö, Pekka- Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments. ...
Znamenskiy, Vasiliy S. Znamenskiy, Vasiliy S.
Znamenskiy, Vasiliy S.- Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids. ...
Stone, Anthony Stone, Anthony
Stone, Anthony- Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but accurate methods for describing intermolecular ...
Patchkovskii, Serguei Patchkovskii, Serguei
Patchkovskii, Serguei- Theoretical and physical chemistry, semiempirical molecular orbital methods. ...
Zapalowski, Michal Zapalowski, Michal
Zapalowski, Michal- Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling. ...
Case, Fiona Case, Fiona
Case, Fiona- Molecular modeling of surfactants and polymers with an industrial focus. ...
Constans, Pere Constans, Pere
Constans, Pere- Molecular similarity theory, quantum chemistry, and numerical algorithms. ...
Chihaia, Viorel Chihaia, Viorel
Chihaia, Viorel- Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software. ...
Ercolessi, Furio Ercolessi, Furio
Ercolessi, Furio- Includes a primer on molecular dynamics simulations, course material (in Italian), information on the MDBNCH benchmark for molecular dynamics codes, and links to related materials. ...

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