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Quantum Monte Carlo determination of the atomization energy and heat of formation of propargyl radical

Journal Article · Mon May 01 00:00:00 EDT 2000 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.1305878· OSTI ID:771854

Harkless, J A.W. ^[1]; Lester, Jr, W A

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Research Organization:: Lawrence Berkeley National Lab., CA (US)

Sponsoring Organization:: USDOE Director, Office of Science. Office of Basic Energy Studies. Division of Chemical Sciences (US)

DOE Contract Number:: AC03-76SF00098

OSTI ID:: 771854

Report Number(s):: LBNL--45850

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 7 Vol. 113; ISSN JCPSA6; ISSN 0021-9606

Country of Publication:: United States

Language:: English

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ATOMIZATION
FORMATION HEAT
MONTE CARLO METHOD
PROPARGYL RADICALS
REACTION HEAT