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Computational chemistry
Results: 1931

#	Item
661	National Tsunami Hazards Mitigation Program Benchmarking Workshop Ram Sampath Centroid LAB Steven Prescott Add to Reading List Source URL: coastal.usc.edu Language: English - Date: 2015-02-23 16:16:55 Dynamics Fluid mechanics Chemical engineering Oilfield terminology Petroleum engineering Viscosity Settling Smoothed-particle hydrodynamics Finite pointset method Chemistry Computational fluid dynamics Fluid dynamics
662	Microsoft PowerPoint - SC07_CUDA_7_NAMD_Phillips.ppt Add to Reading List Source URL: gpgpu.org Language: English - Date: 2009-04-05 17:45:27 Graphics hardware Computing Computational chemistry Computer architecture Video cards CUDA NAMD Graphics processing unit Parallel computing GPGPU Computer hardware Nvidia
663	Microsoft Word - jgorline_CMAS06.doc Add to Reading List Source URL: www.emc.ncep.noaa.gov Language: English - Date: 2007-05-15 15:23:39 Oxygen Environmental chemistry Weather prediction Computational science Ozone 3X 5X Weather forecasting Numerical weather prediction Science Chemistry Ozone depletion
664	Astex Therapeutics and Cambridge Crystallographic Data Centre Extend 10-Year Research Collaboration Cambridge, UK, 12th May[removed]Astex Therapeutics, the fragment-based drug discovery company, and the Cambridge Crystallo Add to Reading List Source URL: astx.com Language: English Medicinal chemistry Drug discovery Computational chemistry Molecular modelling Cheminformatics Astex Cambridge Crystallographic Data Centre Protein–ligand docking Docking Pharmaceutical sciences Chemistry Science
665	The density maximum of water A simulation with the SPC/E water model Hugo Bouma and Hugo van der Wijst Leiden University In the paper, we study certain computer simulations of a modified version of the SPC/E water model, Add to Reading List Source URL: boinc.gorlaeus.net Language: English - Date: 2007-12-17 09:33:28 Thermodynamics Physical quantities State functions Computational chemistry Molecular dynamics Virial theorem Quantum mechanics Particle Molecular diffusion Physics Chemistry Molecular modelling
666	Step 5: Filling data gap - Predict missing data by readacross, trend analysis or QSAR models Select a data gap by clicking in the corresponding empty cell in the data matrix, select one of the three data gap filling meth Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2013-02-11 09:46:30 Computational chemistry Medicinal chemistry Pharmacology Quantitative structure–activity relationship Chemical substance Profiling CAS registry number Chemistry Science Cheminformatics
667	OECD QSAR Toolbox v.3.2 Example for predicting Skin Sensitization of mixture with known components Outlook Add to Reading List Source URL: oasis-lmc.org Language: English - Date: 2014-01-02 11:02:18 Medicinal chemistry Science Computational chemistry Quantitative structure–activity relationship Workflow technology Organisation for Economic Co-operation and Development Workflow Business Cheminformatics Pharmacology Chemistry
668	Microsoft Word - Profile - Kyle Bemis.docx Add to Reading List Source URL: www.sloan.org Language: English - Date: 2015-03-27 13:10:14 Indiana R. Graham Cooks Mass spectrometry imaging International Society for Computational Biology MALDI imaging Purdue University Eberlin Segmentation Chemistry Mass spectrometry Tippecanoe County Indiana
669	Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB) Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:07 Chemical bonding Theoretical chemistry Molecular physics Ab initio quantum chemistry methods Valence bond theory Localized molecular orbitals Chemical bond Resonance Multi-configurational self-consistent field Chemistry Quantum chemistry Computational chemistry
670	Supercomputers help solve puzzle-like bond for biofuels Add to Reading List Source URL: phys.org Language: English - Date: 2015-04-20 15:31:49 Cellulosome Dockerin Computational chemistry Molecular modelling Molecular dynamics Supercomputer Bacteria Hydrogen bond Enzyme Chemistry Protein domains Cellulose

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