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Computational chemistry
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751	User manual Toolbox 3.3 Release Notes For the latest news and the most up-to-date Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2014-12-08 09:09:00 Pharmacology Quantitative structure–activity relationship Chemistry Science Cheminformatics Computational chemistry Medicinal chemistry
752	Latest News September 19, 2005 Volume 83, Number 38 p. 7 COMPUTATIONAL CHEMISTRY Add to Reading List Source URL: boinc.bakerlab.org Language: English - Date: 2005-10-25 12:46:18 Biology Protein methods Science Protein structure prediction Molecular modelling Stereochemistry Rosetta@home De novo protein structure prediction Protein structure Bioinformatics Chemistry
753	Chemical Physics Letters[removed]–130 www.elsevier.com/locate/cplett Neural network correction for heats of formation with a larger experimental training set and new descriptors Xue-Mei Duan a, Zhen-Hua Li a,b, G Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:09 Computational chemistry Density functional theory Hybrid functional Basis set Quantum chemistry composite methods Chemistry Theoretical chemistry Quantum chemistry
754	IMPERIAL COLLEGE LONDON BSc and MSci DEGREES – MAY 2011, for Internal Students of the Imperial College of Science, Technology and Medicine This paper is also taken for the relevant examination for the Add to Reading List Source URL: www.ch.ic.ac.uk Language: English - Date: 2012-02-05 03:33:32 Physical chemistry Solvation Polymer Properties of water Solvent Heterojunction Economic model Quotation mark Amine Chemistry Solutions Computational chemistry
755	OECD QSAR Toolbox v.3.2 Example for predicting acute aquatic toxicity to fish of mixture with known components Outlook Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2014-01-02 11:02:17 Chemistry Science Computational chemistry Quantitative structure–activity relationship Organisation for Economic Co-operation and Development Workflow Business Pharmacology Cheminformatics Medicinal chemistry
756	Spartan’10 Licensing* Spartan’10 for Windows/Macintosh Commercial Government Add to Reading List Source URL: www.computational-chemistry.co.uk Language: English - Date: 2012-06-13 05:11:00 Theoretical chemistry Spartan Molecular physics Spectroscopy Cheminformatics Chemistry Science Computational chemistry
757	OECD (Q)SAR Application Toolbox Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2013-06-18 04:41:10 Cheminformatics Computational chemistry Pharmacology Quantitative structure–activity relationship Toxicity Profiling Science Toxicology Medicinal chemistry Chemistry
758	Newsletter JANUARY/FEBRUARY 2012 VOLUME 3, ISSUE 1 LETTER FROM CCSI LEADERSHIP Add to Reading List Source URL: climatechangescience.ornl.gov Language: English - Date: 2015-04-18 02:47:59 Chemical oceanography Geochemistry Global warming Climate forcing Computational science Global climate model Biogeochemistry Carbon cycle Climate model Science Chemistry Atmospheric sciences
759	OECD QSAR Toolbox v.3.1 Example for predicting Skin Sensitization of mixture with known components Outlook Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2013-06-27 08:54:17 Medicinal chemistry Science Computational chemistry Quantitative structure–activity relationship Workflow technology Organisation for Economic Co-operation and Development Workflow Business Cheminformatics Pharmacology Chemistry
760	Max Planck Institute of Microstructure Physics Theory Department Optical properties of solids S. Sharma, K. Dewhurst, A. Sanna Add to Reading List Source URL: www2.mpi-halle.mpg.de Language: English - Date: 2013-06-11 06:58:12 Physical quantities Computational physics Spintronics Electricity Exciton Time-dependent density functional theory Bethe–Salpeter equation Dielectric Physics Chemistry Quasiparticles

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