Triplet potential energy surface for BH2N: A DFT study

International Journal of Quantum Chemistry

Volumn 103, Issue 4, 2005, Pages 422-431

  Zhang, Jian Guo ^a   Li, Qian Shu ^a   Zhang, Shao Wen ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Aminoboranylidene; Borylnitrene; Dissociation reactions; Iminoborane; Isomerization; Potential energy surface

Indexed keywords

BORON COMPOUNDS; CHEMICAL BONDS; DISSOCIATION; ELECTRON TRANSITIONS; ISOMERIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

AMINOBORANYLIDENE; BORYLNITRENE; IMINOBORANE; POTENTIAL ENERGY SURFACES (PES);

POTENTIAL ENERGY;

EID: 19944414047     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20531     Document Type: Article

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