articleTop 10% cited
Polysiloxanes: ab initio force field and structural, conformational and thermophysical properties
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 1997 · Vol. 53(8) · pp. 1301–1323
Huai Sun(Simulations Plus (United States))David L. Rigby✉(Simulations Plus (United States))
Advanced Chemical Physics StudiesPolymer crystallization and propertiesPhase Equilibria and ThermodynamicsAb initiovan der Waals forceThermodynamicsChemistryMoleculeValence (chemistry)Force field (fiction)Ab initio quantum chemistry methodsMaterials scienceComputational chemistry
Funding
- International Business Machines Corporation
- Advanced Research Projects Agency
Citations
298
FWCI
6.03
field-weighted impact
References
58
Percentile
97%
vs. same field & year
Citations per year
Cited by
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
The Journal of Physical Chemistry B · 1998 · 5,799 citations
References
Molecular dynamics with coupling to an external bath
The Journal of Chemical Physics · 1984 · 30,535 citations
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
Journal of the American Chemical Society · 1988 · 4,984 citations
Optimized intermolecular potential functions for liquid alcohols
The Journal of Physical Chemistry · 1986 · 1,151 citations
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
Physical Review · 1967 · 9,233 citations
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