121. Sicklist Intro List of molecules for which various quantum chemistry methods give poor agreement with experimental results. Also recommends alternative computational methods that give better results. http://srdata.nist.gov/sicklist/

SickList Database List of molecules for which particular ab initio computational methods give poor results. This database is part of the Tools for Computational Chemistry project of the Computational Chemistry Group at NIST This is a database of problems which arise from using a particular ab initio computational method with a particular molecule. It is intended to serve as a guide to prevent people from wasting resources struggling with known problems, and to offer solutions to work around molecules with computational problems. Please choose from the following: An introduction to the sicklist database. Browse a table of molecules. Add a new molecule to the database. The entries to the database are held for review before being entered into the database. The review and entry occurs weekly. The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database. Please send comments to cccbdb@quantum.nist.gov

122. Linux4Chemistry - Linux Software For Chemistry: Molecular Modeling, Visualizatio An upto-date website with the links to Linux software for chemistry including computational, visualization, graphic, molecular modeling, both free and commercial software useful in different fields of chemistry. http://zeus.polsl.gliwice.pl/~nikodem/linux4chemistry.html

Links for Chemists Chemistry section of the WWW Virtual Library Virtual Library Science Chemistry : Software: Linux4Chemistry This page is maintained by Nikodem Kuznik. All comments, suggestions, updates and new urls should be e-mailed to Nikodem Kuznik Not sure about the availability 2 Dimensional Finite Difference Hartree-Fock Program a numerical Hartree-Fock program for diatomic molecules. ABINIT ABINIT is a package for First-Principles calculations of the electronic structure of solids and molecules. It uses a plane-wave basis set and several different types of norm-conserving pseudopotentials, and will soon be functional with PAW pseudopotentials as well. ABINIT can calculate total energies and band structures, relax geometries, but also do linear-response calculations of phonons, perturbations with respect to strains, and electric fields. (GNU/GPL) [added 2/4/2004] achemso Package which formats the Bibliography according to the standards of the American Chemical Society (LaTeX/BibTeX). [added 2/17/2001] ADF the Amsterdam Density Functional program system for high-quality computational chemistry research. The two main programs are ADF, for molecules, and BAND for periodic structures: polymers, slabs, and crystals. Several smaller utility and property programs are available for pre- and post-processing data of the main calculations.

123. Matrix Biology Publishes studies utilizing most scientific technologies including molecular biology, cell biology, immunochemistry, structural biology, computational biology, theoretical biology, and macromolecular chemistry where the subject is extracellular matrix or is substantially related to matrix and its biological role. http://www.elsevier.nl/locate/matbio/?menu=cont&label=Table

124. SpringerLink - Publication Molecular, protein, peptide and drug design, computational modeling, molecular mechanics/dynamics in the fields of Life Sciences and chemistry. http://link.springer.de/link/service/journals/00894/tocs.htm

Articles Publications Publishers Home Publication Journal of Molecular Modeling Publisher: Springer-Verlag Heidelberg ISSN: 1610-2940 (Paper) 0948-5023 (Online) Subject: Chemical Sciences Life Sciences Medicine Physics and Astronomy Issues in bold contain article full text that you are entitled to view. Online First Volume 10 Number 3 Number 2 Number 1 Request a sample Volume 9 Number 6 Number 5 Number 4 Number 3 ... Number 1 Volume 8 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 7 Number 12 Number 11 Number 10 Number 9 ... Numbers 1-3 Volume 6 Number 12 Numbers 10-11 Number 9 Numbers 7-8 ... Number 1 Volume 5 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 4 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 3 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 2 Number 12 Number 11 Number 10 Number 9 ... Numbers 1-2 Volume 1 Number 4 Number 3 Number 2 Number 1 Publication 1 of 1 Previous Publication Next Publication Linking Options About This Journal Editorial Board Manuscript Submission Quick Search Search within this publication...

125. Bioscience Division | Worldview Fosters research at the interface of biology, chemistry, physics, and computational biology to create and discover frontier science and technology that benefit national security, public health, and the environment. http://bioscience.lanl.gov/

HOME SCIENCE Research Programs and Facilities DIVISION LEADERSHIP ... JOB OPENINGS Bioscience Division integrates biology, chemistry, physics, and computational sciences to build a strong scientific and technological base for addressing the complex problems that face the nation. Operated by the University of California for the National Nuclear Security Administration , of the US Department of Energy Contact us: Bioscience Webmaster Last Modified: April 1, 2004

126. IUPUI Chemistry Homepage Graduate Programs. Undergraduate Programs. Information. Facilities. chemistry Club. News Events. Home. Positions Available. ACS Central Regional Meeting 2004. http://chem.iupui.edu/

Welcome Research Courses Graduate Programs Welcome Research Courses Graduate Programs ... Insite

127. Computer Chemistry Center FAU logo, JPEG 6k. COMPUTER chemistry CENTER University of ErlangenNuremberg. http://www.chemie.uni-erlangen.de/ccc/

C OMPUTER C HEMISTRY C ENTER University of Erlangen-Nuremberg General People Research Conference ... Internal Address Links Computer-Chemie-Centrum 91052 Erlangen Germany Phone: +49(0) 9131 85 26582 Fax: +49(0) 9131 85 26565 Travel information WWW mail access service Chemistry homepage Institutes: Inorganic chemistry Organic chemistry Physical and theoretical chemistry Pharmacy and food chemistry ... University homepage Updated January 16, 2003, N.J.R. van Eikema Hommes

128. CSB And PBI Redirect Page, LLNL Please click here for the Division of computational Systems Biology (compbio). Please click here for the Physical Biosciences Institute (PBI). http://gutenberg.llnl.gov/~colvin/

Please click here for the Please click here for the Physical Biosciences Institute (PBI) All work at LLNL is done under the auspices of the U.S. Department of Energy , contract W-7405-ENG-48. Material on this web site is There is more information in the

129. CSC - Chemistry Welcome to the chemistry pages of CSC. From CSC chemistry pages you can find information about chemistry services of CSC. We provide http://www.csc.fi/chem/index.phtml.en

Contacts Feedback Index Search ... Scientist's interface CSC - Chemistry Chemistry mainpage Bulletin board Programs Databases Courses and events ... Contacts Welcome to the Chemistry pages of CSC From CSC - Chemistry pages you can find information about chemistry services of CSC. We provide a wide selection of chemistry programs and databases on our servers. Most of the services are free for Finnish academic researchers but require a user account at CSC. In addition to software and hardware resources the chemistry services of CSC include application support and training Please contact us if you have any questions or suggestions related to the chemistry services of CSC. Last modified: March 26, 2004 10:30:55

130. Physical Chemistry I Translate this page http://www.pc.chemie.tu-darmstadt.de/

131. Annual Report.doc http://www.ch.ic.ac.uk/computational/.index.html

132. CAOS2CMBI - Transfer Page Our pages have moved! The CAOS/CAMM Center is now called, CMBI Centre for Molecular and Biomolecular Informatics. As of November http://www.caos.kun.nl/

Our pages have moved! The CAOS/CAMM Center is now called CMBI: Centre for Molecular and Biomolecular Informatics As of November 18, 1999, the CAOS/CAMM Center not only has a new name, but a new machine as well! So please take notice of the following changes: Our new web address: http://www.cmbi.kun.nl/ Please change your bookmarks accordingly! Subscribers who logon through our web page will find two 'Login' links (one under Cheminformatics, and one for the Bioinformatics package) on our new home page. Our new machine (and domain) name: cmbi1.cmbi.kun.nl If you use the command: telnet cammsg1.caos.kun.nl to contact us, please change it to: telnet cmbi1.cmbi.kun.nl If you expected to find the GPCRDB here, please go to http://www.cmbi.kun.nl/7tm. The www.gpcr.org site will revive soon. At the new "cmbi1" machine, you'll find exactly the same file system as you had at "cammsg1". Substitution rules If you look for a particular web page, there are two ways to proceed: Either start from our new home page, and find your way in the menu structure

133. Index Of /ccwp Parent Directory 15Apr-2004 1051 - altmann.html 25-Mar-2004 1307 2k altmann......Index of /ccwp. Name Last modified Size http://igen.ch.kcl.ac.uk/ccwp/

Index of /ccwp Name Last modified Size Description ... Parent Directory 15-Apr-2004 10:51 - altmann.html 25-Mar-2004 13:07 2k altmann.html_ic 22-Mar-2004 13:35 2k ccwp_form.html 15-May-1997 18:00 2k conferences.html 22-Mar-2004 14:55 4k description.html 29-Jan-2004 17:23 4k gill2_1.html 23-Apr-2004 17:16 164k gill_1.html 23-Apr-2004 17:17 151k image7_small.gif 10-Dec-1999 20:39 46k indexpage/ 15-Mar-2004 15:25 - links.html 23-Apr-2004 18:37 2k links.html_orig 23-Apr-2004 17:29 2k links1.html 23-Apr-2004 18:13 2k meetings.html 15-May-1997 18:00 1k membership.html 26-May-2004 17:41 17k publications.html 14-Jul-1997 14:31 1k rossolov_1.html 23-Apr-2004 17:18 76k Apache/1.3.20 Server at igen.ch.kcl.ac.uk Port 80

134. CompChemLinks.html This page has moved to http//www.zyvex.com/nanotech/compChemLinks.html. Please update your links. You will be autoforwarded in 10 http://nano.xerox.com/nanotech/compChemLinks.html

This page has moved to http://www.zyvex.com/nanotech/compChemLinks.html Please update your links. You will be autoforwarded in 10 seconds (or click on the link above).

135. Www.awod.com/netsci/Science/Compchem/top.html Athens Users LoginAthens Users Login. EBSCOhost Support. User ID, Password, Minimum browser requirements Internet Explorer 5.0 and Netscape 4.7. Important http://www.awod.com/netsci/Science/Compchem/top.html

136. Transfering Request... Redirecting Click here to redirect. http://www.csc.fi/lul/chem/csc_chem2.html

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