Computational Chemistry

Computational Chemistry Journals (Popularity: ) (Score: 13.20)
http://www.ch.cam.ac.uk/c2k/cj/comp.html
A comprehensive list of journals known to publish articles about computational chemistry, even when the main focus of the journal is not computational chemistry.
Category: Science\Chemistry\Computational\Journals

Computational Chemistry Group, U.S. National Institute of Standards and Technology (NIST) (Popularity: ) (Score: 12.06)
http://www.nist.gov/compchem/
Ab initio quantum chemistry and computational thermochemistry.
Category: Science\Chemistry\Computational\Research Groups

Computational Chemistry Jobs (Popularity: ) (Score: 11.99)
http://www.ccl.net/chemistry/announcements/jobs/index.shtml
A free job listing service for computational chemistry professionals and employers. Also an area for positions wanted and for upcoming conferences.
Category: Science\Chemistry\Employment

Computational Chemistry List (Popularity: ) (Score: 11.97)
http://www.ccl.net/chemistry/
A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
Category: Science\Chemistry\Computational

Extensible Computational Chemistry Environment (Popularity: ) (Score: 11.70)
http://ecce.emsl.pnl.gov/
Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management framework for setting up, submitting, and analyzing computational chemistry calculations.
Category: Science\Chemistry\Software\Physical and Theoretical

National Institute of Standards and Technology Computational Chemistry Group (Popularity: ) (Score: 10.97)
http://www.nist.gov/compchem/
Group involved in the development of databases and systematic testing, evaluation and benchmarking of quantum chemistry methods to establish the accuracy, reliability, applicability and relative merits of different computational tools ...
Category: Science\Chemistry\Physical\Academia and Institutes

NWChem High Performance Computational Chemistry Software (Popularity: ) (Score: 10.96)
http://www.emsl.pnl.gov/docs/nwchem/nwchem.html
NWChem is a computational chemistry software capable of molecular dynamics simulations. It is designed to run on parallel computers and it is developed by the Pacific Northwest National Laboratory.
Category: Science\Chemistry\Computational\Molecular Dynamics

Theoretical Chemistry Accounts (Popularity: ) (Score: 10.20)
http://springerlink.metapress.com/app/home/journal.asp?wasp=e2ggvmvwlp12076klqfw&referrer=parent&backto=linkingpublicationresults,1:100493,1
Publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling.
Category: Science\Chemistry\Publications\Journals

WWW Chemistry Guide (Popularity: ) (Score: 9.96)
http://www.chemistryguide.org
WWW Chemistry Guide - a collection of links for chemists and researchers involved in organic, biochemical, computational, medicinal and/or other chemistry research.
Category: Science\Chemistry\Directories

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) (Popularity: ) (Score: 9.96)
http://link.springer.de/link/service/journals/00214/
Publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling.
Category: Science\Chemistry\Computational\Journals

Computational Chemistry and Organic Synthesis (Popularity: ) (Score: 9.72)
http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html
A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
Category: Science\Chemistry\Computational

Computational Chemistry List - Software (Popularity: ) (Score: 9.38)
http://www.ccl.net/cca/software/
Archive of chemistry software for Unix, MS-DOS, Windows, Mac. Includes source code in most cases.
Category: Science\Chemistry\Software\Directories

The Chemistry Development Kit (Popularity: ) (Score: 9.36)
http://cdk.sourceforge.net/
Java based computational chemistry package which supports chemical structure drawing and the graphical layout of 2D chemical structures.
Category: Science\Chemistry\Software\Development

Journal of Theoretical and Computational Chemistry (JTCC) (Popularity: ) (Score: 9.04)
http://www.worldscinet.com/jtcc/jtcc.shtml
Covers the development of fundamental theoretical methodology and computational algorithms to extensive numerical applications to specific scientific problems ranging from gas-phase to condensed phase, and to biological systems.
Category: Science\Chemistry\Computational\Journals

Medicinal Chemistry Links (Popularity: ) (Score: 8.94)
http://www.phc.vcu.edu/othercoolsites.html
A collection of links for chemists and students involved in organic, biochemical, computational, and/or medicinal chemistry research, maintained by Virginia Commonwealth University.
Category: Science\Chemistry\Directories

Asian Journal Of Biochemical And Pharmaceutical Research (Popularity: ) (Score: 8.93)
http://www.ajbpr.com
It's a peer-reviewed multi-disciplinary journal in chemistry, biotechnology and pharmaceutical field, scheduled to appear quarterly and to serve as a means for exchanging scientific information in international chemistry, biotechnology and ...
Category: Science\Medical Science\Journals

European Journal Of Chemistry (Popularity: ) (Score: 8.65)
http://www.eurjchem.com
European Journal of Chemistry is a peer-reviewed journal that publishes original research and review articles as well as letters in all areas of chemistry (Analytical Chemistry, Inorganic Chemistry, Organic and ...
Category: Science\Chemistry\Publications\Journals

Schlegel Group (Popularity: ) (Score: 8.64)
http://chem.wayne.edu/schlegel/
Computational chemistry.
Category: Science\Chemistry\Computational\Research Groups

Chemical & Pharmaceutical Bulletin (Popularity: ) (Score: 8.54)
http://cpb.pharm.or.jp/
Covers physical and inorganic chemistry, organic chemistry including natural products chemistry, medicinal chemistry, analytical chemistry, pharmacognosy and physical chemistry.
Category: Science\Chemistry\Organic\Journals

Baik Group (Popularity: ) (Score: 8.45)
http://mypage.iu.edu/~mbaik/home.htm
Computational chemistry and molecular modeling.
Category: Science\Chemistry\Computational\Research Groups