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Gao, Jiali, Pavelites, Joseph J., Habibollazadeh, Dariush (1996) Simulation of Liquid Amides Using a Polarizable Intermolecular Potential Function†. The Journal of Physical Chemistry, 100 (7). 2689-2697 doi:10.1021/jp9521969

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Reference TypeJournal (article/letter/editorial)
TitleSimulation of Liquid Amides Using a Polarizable Intermolecular Potential Function†
JournalThe Journal of Physical Chemistry
AuthorsGao, JialiAuthor
Pavelites, Joseph J.Author
Habibollazadeh, DariushAuthor
Year1996 (January)Volume100
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp9521969Search in ResearchGate
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Mindat Ref. ID8045290Long-form Identifiermindat:1:5:8045290:8
GUID0
Full ReferenceGao, Jiali, Pavelites, Joseph J., Habibollazadeh, Dariush (1996) Simulation of Liquid Amides Using a Polarizable Intermolecular Potential Function†. The Journal of Physical Chemistry, 100 (7). 2689-2697 doi:10.1021/jp9521969
Plain TextGao, Jiali, Pavelites, Joseph J., Habibollazadeh, Dariush (1996) Simulation of Liquid Amides Using a Polarizable Intermolecular Potential Function†. The Journal of Physical Chemistry, 100 (7). 2689-2697 doi:10.1021/jp9521969
In(1996, January) The Journal of Physical Chemistry Vol. 100 (7) American Chemical Society (ACS)

See Also

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Gao, Jiali, Habibollazadeh, Dariush, Shao, Lei (1995) A Polarizable Intermolecular Potential Function for Simulation of Liquid Alcohols. The Journal of Physical Chemistry, 99 (44). 16460-16467 doi:10.1021/j100044a039
Xie, Wangshen, Pu, Jingzhi, Gao, Jiali (2009) A Coupled Polarization-Matrix Inversion and Iteration Approach for Accelerating the Dipole Convergence in a Polarizable Potential Function†. The Journal of Physical Chemistry A, 113 (10). 2109-2116 doi:10.1021/jp808952m
Gao, Jiali, Pavelites, Joseph J. (1992) Aqueous basicity of the carboxylate lone pairs and the carbon-oxygen barrier in acetic acid: a combined quantum and statistical mechanical study. Journal Of The American Chemical Society, 114 (5) 1912-1914 doi:10.1021/ja00031a073
Coles, Samuel W., Ivaništšev, Vladislav B. (2019) Simulation of a Solvate Ionic Liquid at a Polarizable Electrode with a Constant Potential. The Journal of Physical Chemistry C, 123 (7). 3935-3943 doi:10.1021/acs.jpcc.8b09369
Osborne, M. A., McCaffery, A. J. (1996) Recovery of the Intermolecular Potential from Inelastic Transfer Cross Sections. The Journal of Physical Chemistry, 100 (32). 13346-13347 doi:10.1021/jp961170u
Hermida-Ramón, Jose M., Ríos, Miguel A. (1998) A New Intermolecular Polarizable Potential for a Formaldehyde Dimer. Application to Liquid Simulations. The Journal of Physical Chemistry A, 102 (52). 10818-10827 doi:10.1021/jp982987l
Pavelites, Joseph J., Gao, Jiali, Bash, Paul A., Mackerell, Alexander D. (1997) A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides. Journal of Computational Chemistry, 18 (2). 221-239 doi:10.1002/(sici)1096-987x(19970130)18:2<221::aid-jcc7>3.0.co;2-x
Gao, Jiali (1997) Toward a Molecular Orbital Derived Empirical Potential for Liquid Simulations. The Journal of Physical Chemistry B, 101 (4). 657-663 doi:10.1021/jp962833a
Gunn, John R. (1996) Minimizing Reduced-Model Proteins Using a Generalized Hierarchical Table-Lookup Potential Function. The Journal of Physical Chemistry, 100 (8). 3264-3272 doi:10.1021/jp9524643
Pranowo, Harno D., Bambang Setiaji, A. H., Rode, Bernd M. (1999) Cu+in Liquid Ammonia and in Water:  Intermolecular Potential Function and Monte Carlo Simulation. The Journal of Physical Chemistry A, 103 (50). 11115-11120 doi:10.1021/jp992410j
Liu, Yi, Ichiye, Toshiko (1996) Soft Sticky Dipole Potential for Liquid Water:  A New Model. The Journal of Physical Chemistry, 100 (7). 2723-2730 doi:10.1021/jp952324t
 
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