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Nitroamines / Computational chemistry / ReaxFF / Molecular dynamics / Force field / RDX / Explosive material / HMX / Chemical bond / Chemistry / Molecular modelling / Intermolecular forces


VOLUME 91, N UMBER 9 PHYSICA L R EVIEW LET T ERS
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Document Date: 2004-02-24 15:34:20


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Freeport / Pasadena / Frauenheim / Sevran / Paris / /

Company

NN22O+H O+H2CO 2 CO / Los Alamos National Laboratory / BT / General Motors / ChevronTexaco Corp. / Asahi Kasei / The Dow Chemical Company / 2MN+N 2 O+ H22CO CO / /

Country

France / United States / /

Currency

USD / /

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Facility

University of California Press / California Institute of Technology / Beckman Institute / /

IndustryTerm

nonequilibrium systems / experimental and theoretical tools / large systems / chemical reactions / negative relative energy / energy scale / energy minimization / gas-phase energy barrier / online article / chemical processes / high energy nitramine / model systems / bond energy parameter / gas-phase chemical phenomena / high energy / shock-induced chemical processes / energy-volume data / c.m. kinetic energy / constant energy / translational energy / chemical events / energy / /

Organization

California Institute of Technology / National Institute of Health / American Physical Society / A. Goddard III‡ Materials and Process Simulation Center / National Science Foundation / l’Energie Atomique Centre / Beckman Institute / University of California Press / /

Person

J. Ferrante / Siddharth Dasgupta / Acta Crystallogr / J. R. Smith / Prince / William A. Goddard III / J. H. Rose / /

Position

Author / Prince / /

Product

ReaxFF / /

ProvinceOrState

Texas / New Mexico / Ohio / California / /

Technology

spectroscopy / Simulation / HTML / /

URL

http /

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