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Molecular dynamics
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#	Item
71	N◦ Year 2003 Doctor thesis (translated from French) ´ Claude Bernard - Lyon 1, France Add to Reading List Source URL: mjambon.com Language: English Chemistry Nature Chemical bonding Coordination chemistry Proteins Computational chemistry Proteomics Bioinformatics Ligand Suggested Upper Merged Ontology Molecular dynamics Coordination complex
72	Photodissociation spectroscopy and dynamics of the N2O2 2 anion David L. Osborn, David J. Leahy,a) Douglas R. Cyr,b) and Daniel M. Neumark Department of Chemistry, University of California, Berkeley, California, 94720 an Add to Reading List Source URL: bromine.cchem.berkeley.edu Language: English - Date: 2008-09-07 17:17:57 Chemistry Molecular physics Quantum chemistry Atomic physics Ions Physical chemistry Ionization Thermodynamic temperature Photodissociation Electronvolt Fragmentation Laser
73	Article pubs.acs.org/JPCA Probing the Dynamics of Rydberg and Valence States of Molecular Nitrogen with Attosecond Transient Absorption Spectroscopy Erika R. Warrick,†,‡ Wei Cao,† Daniel M. Neumark,,†,‡ and St Add to Reading List Source URL: bromine.cchem.berkeley.edu Language: English* - Date: 2016-05-23 13:50:21 Chemistry Spectroscopy Nature Atomic physics Molecular physics Quantum chemistry Atomic molecular and optical physics Rydberg atom Rydberg state Energy level Ultrafast laser spectroscopy Rydberg molecule
74	THE JOURNAL OF CHEMICAL PHYSICS 122, 054112 共2005兲 Targeted Car–Parrinello molecular dynamics: Elucidating double proton transfer in formic acid dimer Phineus R. L. Markwicka) European Molecular Biology Laboratory Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2006-03-03 05:47:42 Chemistry Physics Nature Computational chemistry Computational physics Mathematical optimization Molecular dynamics Molecular modelling Scientific modeling Generalized coordinates TG Lagrange multiplier
75	Design, Synthesis and Biological Evaluation of Novel Inhibitors of Trypanosoma brucei Pteridine Reductase1 Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2015-11-20 08:18:28 Chemistry Computational chemistry Nature Parallel computing Molecular modelling Molecular dynamics Graphics hardware Crystal Graphics processing unit Lennard-Jones potential Verlet list Colloid
76	Predissociation dynamics of the O2 B 3 S 2 u state: Vibrational state dependence of the product fine-structure distribution David J. Leahy,a) David L. Osborn,b) Douglas R. Cyr,c) and Daniel M. Neumarkd) Department of Che Add to Reading List Source URL: bromine.cchem.berkeley.edu Language: English - Date: 2008-09-07 17:21:56 Chemistry Spectroscopy Physics Quantum chemistry Nature Molecular physics Atomic physics Forms of energy Molecular Hamiltonian Selection rule BornOppenheimer approximation Spinorbit interaction
77	2362 Biophysical Journal Volume 108 Add to Reading List Source URL: www.biochem-caflisch.uzh.ch Language: English - Date: 2015-05-06 11:39:00 Biology Structural biology Chemistry Protein domains Protein structure Molecular modelling Membrane proteins PDZ domain DLG4 Binding protein Protein Molecular dynamics
78	ULTRAFAST DYNAMICS Attosecond band-gap dynamics in silicon Martin Schultze,1,2† Krupa Ramasesha,1 C.D. Pemmaraju,3 S.A. Sato,4 D. Whitmore,1 A. Gandman,1 James S. Prell,1 L. J. Borja,1 D. Prendergast,3 K. Yabana,4,5 Add to Reading List Source URL: bromine.cchem.berkeley.edu Language: English - Date: 2014-12-12 14:30:21 Condensed matter physics Chemistry Physics Charge carriers Optoelectronics Spectroscopy Molecular physics Quantum chemistry Band gap Electron Laser Valence and conduction bands
79	Subscriber access provided by UNIV MIKOLAJA KOPERNIKA Article Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2009-04-01 07:43:53 Chemistry Theoretical chemistry Computational chemistry Ab initio quantum chemistry methods Molecular dynamics Path integral molecular dynamics Spartan PQS
80	Eur. Phys. J. E: 127 DOIepje/i2015y THE EUROPEAN PHYSICAL JOURNAL E Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2016-05-10 04:34:19 Surface science Intermolecular forces Fluid mechanics Fluid dynamics Computational chemistry Hydrophobe Wetting No-slip condition Surface tension Molecular dynamics Contact angle Liquid

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