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ohio2/yjp-yjp/yjp-yjp/yjp99907/yjp5958d07z xppws 23:ver[removed]:10 Msc: jp-2008-04512f TEID: kbg00 BATID: jp10c111 J. Phys. Chem. B XXXX, xxx, [removed]
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Document Date: 2012-08-16 12:29:06

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City

Amsterdam / CB / London / Warrendale / /

Company

Oxford University Press / IBM / XA HF / IOS Press / /

Currency

USD / /

Facility

Supercomputing Institute UniVersity of Minnesota / /

IndustryTerm

active site / large systems / energy deviation / energy minimization / minimized energy / kinetic energy / relative energy / energy change / last energy component / computational algorithm / interaction energy / electronic energy / chemical potentials / energy / /

Movie

A. D. / /

Organization

North Atlantic Treaty Organization / Materials Research Society / office of Naval Research / National Science Foundation / Oxford University / UniVersity of Minnesota / Department of Chemistry / /

Person

Donald G. Truhlar / Tildesley / Diaz / /

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Position

D. J. / full quantum model for this test case / /

ProvinceOrState

Minnesota / Pennsylvania / /

Technology

wave function.3-5 Both algorithms / T-1 / computational algorithm / /

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http /

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