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Molecular dynamics
Results: 1160

#	Item
611	Goldschmidt Conference Abstracts Wetting of mineral surfaces – Molecular dynamics simulation Single particle ICP-MS for detection Add to Reading List Source URL: goldschmidt.info Language: English - Date: 2011-09-22 14:27:38 Chemical properties Intermolecular forces Nanoparticle Ultraviolet radiation Hydrophobe Janus particles Nanomaterials Nanotechnology Chemistry
612	Annual Reviews www.annualreviews.org/aronline Annu. Rev. Fluid Mech[removed]:[removed]Copyright © 1990 hV Annual Reviews Inc. All r~hts reserved MIXING, CHAOTIC ADVECTION, Add to Reading List Source URL: mixing.chem-biol-eng.northwestern.edu Language: English - Date: 2013-03-15 12:30:54 Aerodynamics Chaotic mixing Reynolds number Turbulence Advection Molecular diffusion Mixing Streamlines streaklines and pathlines Fluid dynamics Fluid mechanics Dynamics
613	THE JOURNAL OF CHEMICAL PHYSICS 134, [removed]Quantum dynamics of rovibrational transitions in H2 -H2 collisions: Internal energy and rotational angular momentum conservation effects S. Fonseca dos Santos,1,a) N. B Add to Reading List Source URL: physics.bk.psu.edu Language: English - Date: 2011-06-07 16:59:22 Spectroscopy Mechanics Scattering Collision Inelastic collision Energy level Momentum Rotational transition Electron Physics Introductory physics Molecular physics
614	University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch Add to Reading List Source URL: www.zora.uzh.ch Language: English - Date: 2010-11-29 09:01:30 Computational chemistry Basis set Density functional theory Gaussian function Atomic orbital Chemical bond Pseudopotential Matrix Molecular dynamics Chemistry Quantum chemistry Theoretical chemistry
615	Fall[removed]CHEMISTRY 675 Physical Chemistry of Macromolecules Lectures: Mon & Wed 6:00 PM-7:15PM FW 201FW300 Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – By appoint Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:31 Molecular modelling Computational chemistry Protein structure Medicinal chemistry Bioinformatics Molecular dynamics Nuclear magnetic resonance spectroscopy Docking Structural genomics Chemistry Biology Science
616	Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform Dong Xu1,2, Yang Zhang1,2* 1 Center for Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, Michigan, United State Add to Reading List Source URL: zhanglab.ccmb.med.umich.edu Language: English - Date: 2009-12-16 16:06:00 Protein structure Intermolecular forces Molecular dynamics Accessible surface area Van der Waals surface Van der Waals radius Johannes Diderik van der Waals Implicit solvation Docking Chemistry Computational chemistry Molecular modelling
617	Optimizing Fine-grained Communication in a Biomolecular Simulation Application on Cray XK6 Yanhua Sun1 Gengbin Zheng1 James C. Phillips1 Terry Jones2 1 University Add to Reading List Source URL: charm.cs.illinois.edu Language: English - Date: 2012-11-27 16:56:59 Supercomputers NAMD Cray XK6 Molecular dynamics University of Illinois at Urbana–Champaign Champaign Cray Charm++ Illinois Terminal Geography of Illinois Champaign County Illinois Illinois
618	Fall[removed]CHEMISTRY 475 Physical Chemistry of Macromolecules Lectures: Mon & Wed 6:00 PM-7:15PM FW 201FW300 Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – By appoint Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:30 Molecular modelling Computational chemistry Protein structure Medicinal chemistry Bioinformatics Molecular dynamics Nuclear magnetic resonance spectroscopy Docking Structural genomics Chemistry Biology Science
619	Chemical Fate of Contaminants in the Environment: Chlorinated Hydrocarbons in the Groundwater Add to Reading List Source URL: www.pnl.gov Language: English - Date: 2009-10-30 09:59:13 Chemical kinetics Solutions Chemical reaction Implicit solvation Reaction rate Solvation SN2 reaction Molecular dynamics Properties of water Chemistry Computational chemistry Molecular modelling
620	Vibration-vibration and vibration-translation energy transfer in H2-H2 collisions: A critical test of experiment with full-dimensional quantum dynamics S. Fonseca dos Santos, N. Balakrishnan, R. C. Forrey, and P. C. Stan Add to Reading List Source URL: physics.bk.psu.edu Language: English - Date: 2013-04-10 15:21:31 Chemical physics Analytical chemistry Electromagnetic radiation Emission spectrum Molecular vibration Physics Chemistry Spectroscopy

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