Goldberg / New York / Wavefunction / Pittsburgh / Gaussian / Portland / L. A. / Handy / /
Company
McDermott / Quantum Chemical / DFT / /
Country
United States / /
Currency
pence / / /
Facility
Columbia University / /
IndustryTerm
chemical applications / chemical directions / brute force solution / local chemical environment / multireference algorithms / electron gas / microelectronics applications / potential energy curve / large-scale applications / larger and more complex model systems / chemical level / chemical methodology / solar energy conversion / important new applications / biological systems / photochemical applications / absolute central processing unit reductions / chemical data / chemical computations / Biological applications / semiconductor processing / transition metal complexes / overall energy function / reported central processing unit times / aqueous solution / chemical and electrical properties / energy differences / largescale applications / chemical models / energy / large systems / computational hardware / illustrative applications / Materials-science applications / conformational energy differences / costeffective technology / chemical calculations / chemical results / chemical properties / exchange operator / enzymatic systems / important applications / reactive chemical events / transition-metal-containing systems / computational solution / mathematical algorithms / gas-phase quantum / computing / substantial central processing unit reductions / chemical / protein active site / electronic energy / chemical methods / condensedphase systems / gas phase / larger systems / chemical electrostatic potentials / /
MarketIndex
CCSD / /
Organization
Richard A. Friesner* Department of Chemistry / Columbia University / Department of Energy / National Academy of Sciences / Columbia University / New York / /
Person
Walter Kohn / Crawford / Tozer / Tannor / Jonas / V / Richard A. Friesner / John Pople / Yamaguchi / Van Voorhis / /
Ab initio quantum chemistry: Methodology and applications Richard A. Friesner*