Molecular dynamics

Results: 1160



#Item
81Molecular physics / Mass spectrometry / Atomic physics / Spectroscopy / Physical chemistry / Ionization / X-ray photoelectron spectroscopy / Extreme ultraviolet / Fragmentation / Bond hardening / Ultrafast laser spectroscopy

Tracking dissociation dynamics of strong-field ionized 1,2-dibromoethane with femtosecond XUV transient absorption spectroscopy

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Source URL: bromine.cchem.berkeley.edu

Language: English - Date: 2016-05-27 12:06:26
82Non-Newtonian fluids / Computational fluid dynamics / Condensed matter physics / Dissipative particle dynamics / Soft matter / Non-equilibrium thermodynamics / Molecular dynamics / Fluctuation-dissipation theorem / NavierStokes equations / Complex fluid / Dynamics

Microsoft PowerPoint - Lecture1.ppt [Compatibility Mode]

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Source URL: www.prague-sum.com

Language: English - Date: 2014-08-26 09:05:16
83Computational chemistry / Molecular dynamics / Theoretical chemistry / Local Elevation / Metadynamics / Xi / Umbrella sampling / Identical particles

22.6. Adaptively biased MD, steered MD, and umbrella sampling with REMDAnalyzing multi-dimensional replica exchange simulations The REMD log file for each dimension is further divided into the log messages for

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Source URL: ambermd.org

Language: English - Date: 2016-08-18 09:53:04
84Spectroscopy / Rotational spectroscopy / Absorption band / Molecular vibration / Photon / Thermodynamic temperature / Photodissociation / Rigid rotor / Photoemission spectroscopy / Vibronic spectroscopy / Xenon monochloride

Photodissociation spectroscopy and dynamics of the HCCO free radical David L. Osborn, David H. Mordaunt, Hyeon Choi, Ryan T. Bise, and Daniel M. Neumark Department of Chemistry, University of California, Berkeley, Califo

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Source URL: bromine.cchem.berkeley.edu

Language: English - Date: 2008-09-07 17:18:10
85Computational chemistry / Heat transfer / Computational physics / Heat conduction / Thermal conductivity / Constraint algorithm / Molecular dynamics

An enhanced version of the heat exchange algorithm with excellent energy conservation properties An enhanced version of the heat exchange algorithm with excellent energy conservation properties

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Source URL: comp-phys.univie.ac.at

Language: English - Date: 2015-11-19 09:54:49
86Computational chemistry / Molecular modelling / Intermolecular forces / Computational physics / Theoretical chemistry / Molecular dynamics / Ewald summation / Particle Mesh / Van der Waals force / Molecular mechanics

Computational Science and Engineering (Int. Master’s Program) Technische Universität München Master’s Thesis

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Source URL: www5.in.tum.de

Language: English
87Fluid dynamics / Surface science / Condensed matter physics / Water waves / Surface tension / Crystal / Colloid / Capillary wave / Surface layer / Airy wave theory

Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces

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Source URL: comp-phys.univie.ac.at

Language: English - Date: 2015-11-19 09:53:32
88Solutions / Computational chemistry / Molecular modelling / Physical chemistry / Ions / Ionic liquid / Solvation / Molecular dynamics / Solvent / Implicit solvation / Solvent models

FAKULTÄT FÜR CHEMIE Einladung zum Vortrag von ___________________________________________________________________ Ass.-Prof. Dipl.-Chem. Dr. Christian Schröder

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Source URL: chemie.univie.ac.at

Language: English - Date: 2016-04-01 12:57:39
89Statistical mechanics / Molecular modelling / Liquid / Viscosity / Volume / Structure factor / Molecular dynamics / Radial distribution function

IOP PUBLISHING JOURNAL OF PHYSICS: CONDENSED MATTER J. Phys.: Condens. Matter (7pp)

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Source URL: tmw.phys.nctu.edu.tw

Language: English - Date: 2004-06-07 01:23:16
90Educational psychology / Scientific modeling / Epistemology of science / Interpretation / Scientific modelling / Molecular dynamics / Educational technology / Lecture / Simulation / Computer simulation / Quantum chemistry

Master’s in NANOSCIENCE CÓDE NAME OF MODULE

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Source URL: www.mscnano.eu

Language: English - Date: 2010-01-13 10:28:54
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