Computational chemistry - PDFSEARCH.IO - Document Search Engine

Computational chemistry
Results: 1931

#	Item
801	APS March Meeting 2015 San Antonio, Texas http://www.aps.org/meetings/march/index.cfm Thursday, March 5, 2015 8:00AM - 10:12AM Add to Reading List Source URL: flux.aps.org Language: English - Date: 2015-03-18 11:15:01 Quantum mechanics Computational chemistry Molecular modelling Force fields Molecular dynamics Local-density approximation Orbital-free density functional theory Crystal Water vapor Physics Chemistry Density functional theory
802	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 08:54:16 Cheminformatics Computational chemistry Quantitative structure–activity relationship Science Organisation for Economic Co-operation and Development Pharmacology Medicinal chemistry Chemistry
803	0DQXVFULSWQRQ/D7H; &OLFNKHUHWRGRZQORDG0DQXVFULSWQRQ/D7H;$WZRRGB&0,3B/DVWB0LOOB3DSHUBORE&KJVBGRF[ 1 Quantifying climate forcings and feedbacks over the last Add to Reading List Source URL: www.atmos.washington.edu Language: English* - Date: 2015-01-20 17:42:31 Global warming Climate forcing Computational science Global climate model Climate history Atmospheric chemistry Radiative forcing Climate sensitivity Atmospheric sciences Climatology Climate change
804	EMPIRE™ (Available in Q4, 2012) EMPIRE™ is an entirely new parallel NNDO-based semiempirical molecular orbital (MO) program from Cepos InSilico designed for use on modern multi-core desktop machines or for very large Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2012-08-03 17:31:33 Theoretical chemistry PM3 Hartree–Fock method AM1* MNDO Multi-core processor Molecular orbital Chemistry Quantum chemistry Computational chemistry
805	DEVELOPMENT OF TWOLEVEL PARALLELIZATION SCHEMA FOR PROTEIN FOLDING COMPUTATION Alexander Moskovsky [removed] Lomonosov Moscow State University Add to Reading List Source URL: lit.jinr.ru Language: English - Date: 2012-05-11 15:25:37 Molecular modelling Computational chemistry Protein structure Bioinformatics Protein folding Folding@home Molecular dynamics NAMD Force field Chemistry Science Software
806	A Model of Character Affinity for Agent-Based Story Generation Gonzalo M´endez, Pablo Gerv´as, and Carlos Le´on Facultad de Inform´ atica, Universidad Complutense de Madrid, Madrid, Spain, {gmendez,pgervas,cleon}@ucm Add to Reading List Source URL: ccg.doc.gold.ac.uk Language: English - Date: 2014-10-24 16:09:22 Physical chemistry Elective Affinities Affinity Agent-based model Intelligent agent Abstraction Computational creativity Computing Actor model Artificial intelligence Science Chemical affinity
807	Impressum Copyright © 2013 by CeposInSilicoLtd. The Old Vicarage Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2014-08-05 18:18:20 Molecular modelling Science Protein structure Molecular dynamics Quantum chemistry Accessible surface area Docking Electron density Electron Chemistry Computational chemistry Physics
808	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 08:54:16 Chemistry Science Computational chemistry Quantitative structure–activity relationship Organisation for Economic Co-operation and Development Workflow Business Pharmacology Cheminformatics Medicinal chemistry
809	APS March Meeting 2015 San Antonio, Texas http://www.aps.org/meetings/march/index.cfm Monday, March 2, 2015 8:00AM - 11:00AM Add to Reading List Source URL: flux.aps.org Language: English - Date: 2015-03-18 11:09:07 Spectroscopy Quantum chemistry Scattering Computational chemistry Atomic physics Molecular dynamics Infrared spectroscopy Raman spectroscopy Energy level Chemistry Physics Science
810	A lattice solid model to simulate the micro-physics of earthquakes: toward 3D large scale simulations David Place and Peter Mora QUAKES, Department of Earth Sciences, The University of Queensland, Brisbane, Australia (e- Add to Reading List Source URL: quakes.earth.uq.edu.au Language: English - Date: 2001-02-26 20:32:39 Computational chemistry Molecular dynamics Molecular modelling Physics Computational physics Particle Parallel computing Scientific modeling Dissipative particle dynamics Computational fluid dynamics Computational science Science

UPDATE