引用次数
引用: 7,525
H-指数: 24
I10-指数 : 28
出版物: 73
Predicting Function of Biological Macromolecules: A Summary of LDRD Activities: Project 10746
LAURA J. D. FRINK , SUSAN L REMPE , SHAWN A MEANS , MARK J STEVENS
Other Information: PBD: 1 Nov 2002
2002
Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane
J By , ILJA SIEPMANN , G MARTIN MARCUS ,
Molecular Physics 90 ( 5) 687 -694
67
1997
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
Marcus G. Martin , J. Ilja Siepmann
Journal of Physical Chemistry B 102 ( 14) 2569 -2577
2,935
1998
Thermodynamic Properties of the Williams, OPLS-AA, and MMFF94 All-Atom Force Fields for Normal Alkanes
Bin Chen , Marcus G. Martin , J. Ilja Siepmann
Journal of Physical Chemistry B 102 ( 14) 2578 -2586
72
1998
Simulating Retention in Gas−Liquid Chromatography
Marcus G. Martin , J. Ilja Siepmann , Mark R. Schure
Journal of Physical Chemistry B 103 ( 50) 11191 -11195
16
1999
Vapor–liquid phase equilibria of triacontane isomers: Deviations from the principle of corresponding states
Nikolay D. Zhuravlev , Marcus G. Martin , J. Ilja Siepmann
Fluid Phase Equilibria 202 ( 2) 307 -324
27
2002
A novel Monte Carlo algorithm for polarizable force fields: Application to a fluctuating charge model for water
Marcus G. Martin , Bin Chen , J. Ilja Siepmann
Journal of Chemical Physics 108 ( 9) 3383 -3385
40
1998
Using arbitrary trial distributions to improve intramolecular sampling in configurational-bias Monte Carlo
Marcus G. Martin , Amalie L. Frischknecht
Molecular Physics 104 ( 15) 2439 -2456
54
2006
Calculating Gibbs free energies of transfer from Gibbs ensemble Monte Carlo simulations
Marcus G. Martin , J. Ilja Siepmann
Theoretical Chemistry Accounts 99 ( 5) 347 -350
87
1998
Monte Carlo molecular simulation predictions for the heat of vaporization of acetone and butyramide
Marcus G. Martin , Mary J. Biddy
Fluid Phase Equilibria 236 ( 1) 53 -57
28
2005
Industrial property prediction using Towhee and LAMMPS
Marcus G. Martin , Aidan P. Thompson
Fluid Phase Equilibria 217 ( 1) 105 -110
73
2004
Comparison of the AMBER, CHARMM, COMPASS, GROMOS, OPLS, TraPPE and UFF force fields for prediction of vapor–liquid coexistence curves and liquid densities
Marcus G. Martin
Fluid Phase Equilibria 248 ( 1) 50 -55
79
2006
Bubble point pressure estimates from Gibbs ensemble simulations
A. Özgür Yazaydın , Marcus G. Martin
Fluid Phase Equilibria 260 ( 2) 195 -198
8
2007
Transferable Potentials for Phase Equilibria. 4. United-Atom Description of Linear and Branched Alkenes and Alkylbenzenes
Collin D. Wick , Marcus G. Martin , J. Ilja Siepmann
Journal of Physical Chemistry B 104 ( 33) 8008 -8016
650
2000
Studies of the Thermodynamic Properties of Hydrogen Gas in Bulk Water
Dubravko Sabo , Sameer Varma , Marcus G. Martin , Susan B. Rempe
Journal of Physical Chemistry B 112 ( 3) 867 -876
35
2008
Effect of pressure, membrane thickness, and placement of control volumes on the flux of methane through thin silicalite membranes: A dual control volume grand canonical molecular dynamics study
Marcus G. Martin , Aidan P. Thompson , Tina M. Nenoff
Journal of Chemical Physics 114 ( 16) 7174 -7181
52
2001
Simulation of the Adsorption of Nucleotide Monophosphates on Carbon Nanotubes in Aqueous Solution
Amalie L. Frischknecht , Marcus G. Martin
Journal of Physical Chemistry C 112 ( 16) 6271 -6278
25
2008
MCCCS Towhee: a tool for Monte Carlo molecular simulation
Marcus G. Martin
Molecular Simulation 39 1212 -1222
279
2013
Origins of the solvent chain-length dependence of Gibbs free energies of transfer
Marcus G. Martin , Nikolaj D. Zhuravlev , Bin Chen , Peter W. Carr
Journal of Physical Chemistry B 103 ( 15) 2977 -2980
8
1999
Novel Configurational-Bias Monte Carlo Method for Branched Molecules. Transferable Potentials for Phase Equilibria. 2. United-Atom Description of Branched Alkanes
Marcus G. Martin , J. Ilja Siepmann
Journal of Physical Chemistry B 103 ( 21) 4508 -4517
590
1999
J. Ilja Siepmann Collin Wick Aidan Thompson Arthur H Edwards C. J. Umrigar Rajamani Krishna Thijs Vlugt Amalie L. Frischknecht Susan Rempe Mary J. Biddy Tina M Nenoff Gary S. Grest Jeffery A. Greathouse A. Özgür Yazaydın Jeffrey Potoff Andrew G. Salinger Randall Cygan Rick Muller Michael Heroux Mark J. Stevens