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Journal of Molecular Modeling

Volumn 18, Issue 9, 2012, Pages 4239-4247

Theoretical studies on the kinetics and mechanism of the gas-phase reactions of CHF2;OCHF2; with OH radicals

(1) Chandra, Asit K a

a NORTH EASTERN HILL UNIVERSITY (India)

Author keywords

CHF2OCHF2; G2(MP2); Hydrogen abstraction; OH radical; Rate constants

Indexed keywords

CHLOROFLUOROHYDROCARBON; HYDROGEN; HYDROXIDE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION KINETICS; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; GAS ANALYSIS; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; QUANTUM CHEMISTRY; TEMPERATURE DEPENDENCE; THEORETICAL STUDY;

ETHERS; GASES; HYDROCARBONS, FLUORINATED; HYDROGEN; HYDROXYL RADICAL; KINETICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHASE TRANSITION; THERMODYNAMICS; VIBRATION;

EID: 84867582692 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-012-1432-1 Document Type: Article

Times cited : (35)

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