metal / Free energy calculations / potential systems / energy landscape / nano-cluster systems / transition metal tricarbonyls / ionic systems / metal-salen catalysis / search prefilters / energy gaps / hydrogenated transition metal clusters / potential energy surfaces / energy reassignment / virtual screening tool / isomeric free energy differences / /
Organization
Gibbs Ensemble / /
Person
E. A. Ivanova Shor / V / Brooks III / L. Cheney / Peter C. Jurs Sponsored / J. Bard / N. Roesch / Thomas Kuhn / S. R. Krystek Jr. / R. Guha / /
Position
G. P. / /
ProvinceOrState
Louisiana / N. F. / /
PublishedMedium
Fluid Phase Equilibria / /
RadioStation
CINF / /
Technology
Drug Discovery / Molecular modeling / x-ray / dielectric / drug design / Simulation / /