Theoretical study of the reactions BF3 + BX, where X = H or N

International Journal of Quantum Chemistry

Volumn 103, Issue 5, 2005, Pages 685-694

  Barreto, Patrícia R P ^a   Vilela, Alessandra F A ^b   Gargano, Ricardo ^a  

^a INSTITUTO NACIONAL DE PESQUISAS ESPACIAIS   (Brazil)

^b UNIVERSITY OF BRASILIA   (Brazil)

Author keywords

Bimolecular abstraction; Boron trifluoride; Conventional transition state theory; Direct dynamics; GAUSSIAN 98; Kinetics; Thermal rate constants

Indexed keywords

BORON COMPOUNDS; CONTINUUM MECHANICS; CUBIC BORON NITRIDE; DECOMPOSITION; ELECTRONIC STRUCTURE; ETCHING; GROWTH KINETICS; OPTIMIZATION; POTENTIAL ENERGY; RATE CONSTANTS; THERMAL EFFECTS;

BIMOLECULAR ABSTRACTION; BORON TRIFLUORIDE; CONVENTIONAL TRANSITION STATE THEORY (TST); DIRECT DYNAMICS; GAUSSIAN 98; KINETICS; THERMAL RATE CONSTANTS;

REACTION KINETICS;

EID: 20844453875     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20581     Document Type: Conference Paper

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