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Computational chemistry
Results: 1931

#	Item
961	CADASTER CAse studies on the Development and Application of in-Silico Techniques for Environmental hazard and Risk assessment Grant agreement no.: 212668 Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-05-31 11:35:10 Cheminformatics Toxicology Environmental law Computational chemistry Pharmacology Quantitative structure–activity relationship Registration Evaluation Authorisation and Restriction of Chemicals Chemical safety assessment Material safety data sheet Health Chemistry Safety
962	Basic Books in Science Book 12 Quantum Mechanics of Many-Particle Systems: Add to Reading List Source URL: www.learndev.org Language: English - Date: 2014-05-18 04:22:58 Atomic physics Theoretical chemistry Molecular physics Computational chemistry Atomic orbital Hartree–Fock method Electron Energy level Molecular orbital Chemistry Physics Quantum chemistry
963	CADASTER CAse studies on the Development and Application of in-Silico Techniques for Environmental hazard and Risk assessment Grant agreement no.: [removed]Collaborative Project Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-05-31 11:35:10 Risk Computational chemistry Medicinal chemistry Mathematical chemistry Molecular descriptor Pharmacology Quantitative structure–activity relationship Polybrominated diphenyl ethers Risk assessment Cheminformatics Chemistry Science
964	Microsoft Word - Deliverable 4 5.doc Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-12-07 08:58:48 Science Toxicology Pharmacology Medicine Computational chemistry Quantitative structure–activity relationship Chemical safety assessment Registration Evaluation Authorisation and Restriction of Chemicals Applicability Domain Chemistry Medicinal chemistry Cheminformatics
965	Microsoft Word - Deliverable 5.6.doc Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-12-07 08:58:48 Pharmaceutical sciences Chemistry Pharmacology Computational chemistry Quantitative structure–activity relationship Pharmacokinetics In silico Applicability Domain ADME Medicinal chemistry Science Cheminformatics
966	OpenTox: an open source platform for toxicity prediction OpenTox Meeting, Munich, August 2011 David Gallagher Add to Reading List Source URL: www.opentox.org Language: English - Date: 2011-10-26 07:30:21 Computational chemistry Medicinal chemistry Pharmaceutical sciences Pharmacology Quantitative structure–activity relationship Data mining Structure–activity relationship IUCLID In silico Science Cheminformatics Chemistry
967	Review Special Focus: Computational Chemistry For reprint orders, please contact [removed] Chemodiversity and molecular plasticity: recognition processes as explored by Add to Reading List Source URL: files.chuv.ch Language: English - Date: 2012-09-28 03:21:32 Medicinal chemistry Molecular modelling Drug discovery Bioinformatics Docking Conformational isomerism Force field Molecular recognition Quantitative structure–activity relationship Chemistry Science Computational chemistry
968	Microsoft Word - Deliverable 2.4..doc Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-12-07 08:58:48 Chemistry Medicinal chemistry Knowledge Database theory Database Quantitative structure–activity relationship Chemical database Thesaurus Microsoft Excel Science Computational chemistry Cheminformatics
969	OECD QSAR Toolbox and CADASTER Emiel Rorije Substances Expertise Centre Add to Reading List Source URL: www.cadaster.eu Language: English - Date: 2012-05-31 11:35:44 Science Pharmacology Computational chemistry Medicinal chemistry Quantitative structure–activity relationship Cinnamaldehyde Maribor Slovenia Chemistry Cheminformatics Europe
970	Density Functional Calculations with PARAGAUSS Perspectives for modeling catalyst materials Notker Rösch Department Chemie and Add to Reading List Source URL: www.lrz.de Language: English - Date: 2014-07-28 09:29:19 Science Theoretical chemistry Hybrid functional Crystal Gaussian Computational chemistry Chemistry Density functional theory Physics

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