Molecular Dynamics Simulations of Vibrational Energy Distribution in Vibrational Cooling and Heating

Vibrational Energy ◽

Vibrational Cooling ◽

Dynamics Simulations ◽

Vibrational Energy Distribution

Influence of Water on Anharmonicity, Stability, and Vibrational Energy Distribution of Hydrogen-Bonded Adducts in Atmospheric Reactions: Case Study of the OH + Isoprene Reaction Intermediate Using Ab Initio Molecular Dynamics

The Journal of Physical Chemistry A ◽

10.1021/jp204511v ◽

2011 ◽

Vol 116 (1) ◽

pp. 399-414 ◽

Cited By ~ 19

Author(s):

Scott M. Dietrick ◽

Alexander B. Pacheco ◽

Prasad Phatak ◽

Philip S. Stevens ◽

Srinivasan S. Iyengar

Keyword(s):

Molecular Dynamics ◽

Energy Distribution ◽

Ab Initio ◽

Vibrational Energy ◽

Ab Initio Molecular Dynamics ◽

Atmospheric Reactions ◽

Reaction Intermediate ◽

Influence Of Water ◽

Vibrational Energy Distribution

Nonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O

The Journal of Chemical Physics ◽

10.1063/1.3126781 ◽

2009 ◽

Vol 130 (17) ◽

pp. 174507 ◽

Cited By ~ 27

Author(s):

Alexander Kandratsenka ◽

Jörg Schroeder ◽

Dirk Schwarzer ◽

Vyacheslav S. Vikhrenko

Keyword(s):

Molecular Dynamics ◽

Vibrational Energy ◽

Energy Relaxation ◽

Nonequilibrium Molecular Dynamics ◽

Vibrational Energy Relaxation ◽

Molecular Dynamics Simulations of Normal Mode Vibrational Energy Transfer in Liquid Nitromethane

The Journal of Physical Chemistry A ◽

10.1021/jp035975v ◽

2004 ◽

Vol 108 (4) ◽

pp. 532-540 ◽

Cited By ~ 26

Author(s):

Vinayak N. Kabadi ◽

Betsy M. Rice

Keyword(s):

Molecular Dynamics ◽

Energy Transfer ◽

Normal Mode ◽

Vibrational Energy ◽

Vibrational Energy Transfer ◽

Relationship between energy distribution and fold stability: Insights from molecular dynamics simulations of native and mutant proteins

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.21963 ◽

2008 ◽

Vol 72 (2) ◽

pp. 660-672 ◽

Cited By ~ 36

Author(s):

Giulia Morra ◽

Giorgio Colombo

Keyword(s):

Molecular Dynamics ◽

Energy Distribution ◽

Mutant Proteins ◽

Dynamics Simulations ◽

Fold Stability

Molecular dynamics simulations of vibrational cooling and heating in isotopically substituted molecular clusters

The Journal of Chemical Physics ◽

10.1063/1.469276 ◽

1995 ◽

Vol 102 (13) ◽

pp. 5480-5485 ◽

Cited By ~ 4

Author(s):

Hackjin Kim ◽

Dana D. Dlott ◽

Youngdo Won

Keyword(s):

Molecular Dynamics ◽

Molecular Clusters ◽

Vibrational Cooling ◽

Calculating Vibrational Energy Relaxation Rates from Classical Molecular Dynamics Simulations: Quantum Correction Factors for Processes Involving Vibration−Vibration Energy Transfer†

The Journal of Physical Chemistry B ◽

10.1021/jp010602k ◽

2001 ◽

Vol 105 (28) ◽

pp. 6716-6721 ◽

Cited By ~ 61

Author(s):

J. L. Skinner ◽

Kisam Park

Keyword(s):

Molecular Dynamics ◽

Energy Transfer ◽

Quantum Correction ◽

Vibrational Energy ◽

Vibration Energy ◽

Correction Factors ◽

Relaxation Rates ◽

Vibrational Energy Relaxation ◽

On the calculation of vibrational energy relaxation rate constants from centroid molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.1613636 ◽

2003 ◽

Vol 119 (17) ◽

pp. 9030-9046 ◽

Cited By ~ 28

Author(s):

Qiang Shi ◽

Eitan Geva

Keyword(s):

Molecular Dynamics ◽

Relaxation Rate ◽

Rate Constants ◽

Vibrational Energy ◽

Energy Relaxation ◽

Vibrational Energy Relaxation ◽

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases