Thermochemical properties for n-propyl, iso-propyl, and tert-butyl nitroalkanes, alkyl nitrites, and their carbon-centered radicals

International Journal of Chemical Kinetics

Volumn 42, Issue 3, 2010, Pages 181-199

  Snitsiriwat, Suarwee ^a   Asatryan, Rubik ^a   Bozzelli, Joseph W ^a  

^a NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL NITRITES; B3LYP/6-31G; CARBON-CENTERED RADICALS; CBS-QB3; DFT LEVELS; HEAT CAPACITIES; HEAT-CAPACITY DATA; HYDROGEN ATOMS; INTERNAL ROTATIONS; ISODESMIC REACTIONS; N-PROPYL; NITRO COMPOUNDS; NITROALKANES; NITROMETHANE; RECOMMENDED VALUES; STABLE CONFORMERS; STANDARD ENTHALPIES OF FORMATION; THERMOCHEMICAL PROPERTIES; VIBRATION FREQUENCY; WORK REACTIONS;

ALKYLATION; BUTANE; ISOMERS; LIQUEFIED PETROLEUM GAS; NITROGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; PROPANE; REACTION KINETICS; SPECIFIC HEAT;

DENSITY FUNCTIONAL THEORY;

EID: 74849125652     PISSN: 05388066     EISSN: 10974601     Source Type: Journal    
DOI: 10.1002/kin.20479     Document Type: Article

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