Pasadena / Washington / DC / Tutein / Portland / /
Company
Marks N. A. / Gould / IBM / ChevronTexaco / General Motors / Cusbenzene CoCH3 Co / Schrodinger Inc. / Ni and Co / Cu Co / Asahi Kasei / /
Currency
USD / /
Facility
California Institute of Technology / Beckman Institute / /
IndustryTerm
metal-carbon interactions / chemical systems / metal-metal bond dissociation parameters / energy conservation / lowest energy spin state / search optimization technique / metal catalytic chemistry / energy profiles / conjugated systems / metal/hydrocarbon complexes / energy barriers / metal catalysis / overall system energy / reaction products / metal-hydrocarbon / metal clusters / ground-state systems / metal atoms / quantum chemical description / metal catalyst / reactant products / complicated chemical systems / energy / metal / chemical reactions / transition metal catalysts / partial energy terms / metal catalytic processes / relative energy / metal catalysts / methyl / high-energy / computational tractable tool / transition metal / lower metal concentration / energy determination / reduced metal-carbon reaction rates / chemical bonds / energy terms / partial energy contribution / larger systems / /
Organization
California Institute of Technology / National Institute of Health / A. Goddard III* Materials and Process Simulation Center / National Science Foundation / Cornell / American Chemical Society / Beckman Institute / /
Person
Curtis / V / Kevin D. Nielson / Adri C. T. van Duin / Jonas Oxgaard / Bedrov / Mann / William A. Goddard III / Hariharan / Wei-Qiao Deng / /