Washington DC / New York / Quenneville / Washington / DC / Kollman / Wiley / /
Company
LG / Cambridge University Press / Hoover / Pauling LC / Teukolsky SA / Jenekhe SA / Cox / Army Research Laboratory / HP / Cornell University Press / / /
Facility
Army Research Laboratory / Minnesota Supercomputing Institute / University of Minnesota / /
IndustryTerm
free energy / energy gap / online version / energy change / energy depth / dichloromethane solutions / target potential energy surfaces / aqueous solution / energy functions / potential energy functions / energy / gas phase profile / large systems / chemical reactivity / technological applications / chemical reactions / data storage devices / oxygen site / computed excitation energy / leap-frog integration algorithm / relative energy / potential energy / chemical bond / energy calculation / chemical process / potential energy function / hydrogen bonding energy / similar applications / overall energy change / energy partition / water solution / potential energy surface / free energy surface / energy release / scientific computing / gas phase / chemical bonds / energy terms / gas phase calculations / /
Organization
Cambridge University / University of Minnesota / Minneapolis / Army / Cornell University / Department of Chemistry / American Chemical Society / African Union / Arm High-Performance Computing Research Center / Minnesota Supercomputing Institute / /
Person
Alessandro Cembran / David Blank / /
Position
Morse PM / empirical model for condensed phase simulations / Walker / Professor / Tripathi HB / /
Theor Chem Acc[removed]:211–218 DOI[removed]s00214[removed]z REGULAR ARTICLE Potential energy functions for an intramolecular proton transfer