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Volumn 115, Issue 10, 2001, Pages 4515-4526

The reactions CHnD4-n+OH→P and CH4+OD→CH3+HOD as a test of current direct dynamics multicoefficient methods to determine variational transition state rate constants. II

(3) Masgrau, L a Gonzalez Lafont A a Lluch, J M a

a UNIVERSITAT AUTÒNOMA DE BARCELONA (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; EXTRAPOLATION; FREE RADICALS; METHANE; MOLECULES; OPTIMIZATION; TEMPERATURE;

INTERPOLATED SINGLE POINT ENERGY CORRECTIONS; MULTICOEFFICIENT CORRELATION METHODS; MULTICOEFFICIENT QUADRATIC CONFIGURATION INTERACTION; MULTIDIMENSIONAL TUNNELING CORRECTIONS; VARIATIONAL TRANSITION STATE THEORY;

ELECTRONIC STRUCTURE;

EID: 0035828296 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1389848 Document Type: Article

Times cited : (29)

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