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Computational chemistry
Results: 1931

#	Item
711	Late response to an old article Comparison of several computational procedures for evaluating the kinetics of thermally stimulated condensed phase reactions Nicolas Sbirrazzuoli, Luc Vincent, Sergey Vyazovkin Published i Add to Reading List Source URL: www.cisp.spb.ru Language: English - Date: 2014-05-20 04:24:18 Chemistry Science Nature Knowledge Chemical kinetics Chemical engineering Reaction rate
712	Microsoft Word - 2-Damer-Bruce-Phd-thesis-appendices-FINAL.doc Add to Reading List Source URL: www.damer.com Language: English - Date: 2011-07-17 20:06:21 Computational science Scientific modeling Computational chemistry Molecular modelling Simulation software Simulation Computer simulation Scientific modelling Molecular dynamics Science Software Chemistry
713	OECD QSAR Toolbox v.3.1 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: 2013-06-27 09:23:42 Chemistry Science Computational chemistry Quantitative structure–activity relationship Organisation for Economic Co-operation and Development Workflow Business Pharmacology Cheminformatics Medicinal chemistry
714	OECD QSAR Toolbox v.3.1 Example for predicting skin sensitisation potential of (2E,6Z)-2,6-nonadien-1-ol accounting for skin metabolism Outlook Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2013-06-27 09:23:41 Cheminformatics Computational chemistry Quantitative structure–activity relationship Science Organisation for Economic Co-operation and Development Pharmacology Medicinal chemistry Chemistry
715	REACH-IT Industry User Manual Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2013-07-03 01:39:13 Medicinal chemistry Pharmacology Quantitative structure–activity relationship Chemistry Toxicity Profiling Science Toxicology Cheminformatics Computational chemistry
716	Hospital Authority HA Task Force on Human Swine Influenza HA CCIDER nd Effective Date: 2 May 2009 Add to Reading List Source URL: www.hkam.org.hk Language: English - Date: 2014-02-19 00:44:09 Organic chemistry Behavior Computational chemistry GlaxoSmithKline Guanidines Zanamivir Influenza Pregnancy Breastfeeding Acetamides Neuraminidase inhibitors Chemistry
717	egu_logo_without_circle_grey Add to Reading List Source URL: www.atmos-chem-phys-discuss.net Language: English - Date: 2014-01-10 03:25:42 Computational science Oceanography Climate model Atmospheric model Scientific modelling Unified Model Chemical transport model Atmospheric chemistry Numerical weather prediction Atmospheric sciences Science Meteorology
718	Biochemfusion Binary molecule file format version[removed] Add to Reading List Source URL: www.biochemfusion.com Language: English - Date: 2012-12-18 06:06:59 Chemical table file Computational chemistry Endianness 32-bit Binary file Integer ZPAQ LEB128 Computing Graphics file formats Computer file formats
719	THE JOURNAL OF CHEMICAL PHYSICS 133, [removed]s2010d Time-dependent density functional theory for quantum transport Xiao Zheng,1,2 GuanHua Chen,2,3,4,a! Yan Mo,1,2,5 SiuKong Koo,2 Heng Tian,2 ChiYung Yam,2 and YiJing Yan1 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Computational physics Computational chemistry Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Electronic band structure Types of radio emissions ABO blood group system Chemistry Physics Science
720	REACH-IT Industry User Manual Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2013-07-02 07:10:14 Medicinal chemistry Pharmacology Quantitative structure–activity relationship Chemistry Toxicity Profiling Science Toxicology Cheminformatics Computational chemistry

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