York / Rochester / Forrow / New York / Lyon / L.A. / /
Company
Gould / IBM / Oak Ridge National Laboratories / CHs / Quantum / Jackson S.A. / ACS / Cummins / Baxter / GoldmanA. S. / Shilov A. E. / /
Currency
USD / / /
Facility
National Center / University of TennesseeKnoxville / Memphis State University / Reactant Complex / Joint Institute / /
IndustryTerm
kinetic products / computational transition metal chemistry / parallel computing / metal acts / vacant coordination site / appropriate metal-ligand bond / chemical environment / chemical interactionswhichdictate theeaseofpassageofreactants / energy scheme / computational transition metal / methodologywith emerging technologies / lowest energy / oxidative addition product / energy / filled metal orbital / metal / transition metal system.’* / transition metal bonding / 1Celectron systems / methyl / low-valent transition metal / typical metal-terminal hydride bond length / vacant metal orbital concomitant / polarized metal-ligand bond / transition metal / homogeneous systems / transition metal-arbon bond enthalpies / effectivenessof metal / steepest descent algorithm / /
Movie
W. 3 / /
Organization
University of TennesseeKnoxville / National Science Foundation / Yale / National Center for Supercomputing Applications / National Center / Department of Chemistry / Joint Institute for Computational Science / Air Force office of Scientific Research / Memphis State University / Memphis / Ames Lab / Petroleum Research Fund / /
Person
Thomas R. Cundari / Eisenstein / Mark S. Gordon / Beauchamp / Robert H. Crabtree / John E. Bercaw / William D. Jones / Mike Schmidt / Theresa Windus / /
J. Am. Chem. SOC.1994,116, [removed]Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by