Theoretical investigations of BBS (singlet)→BSB (triplet) transformation on a potential energy surface obtained from neural network fitting

Chemical Physics

Volumn 426, Issue , 2013, Pages 31-37

  Nguyen Truong, Hieu T ^a,c   Thi, Cao Minh ^b   Le, Hung M ^a  

^a UNIVERSITY OF NATURAL SCIENCES   (Viet Nam)

^b Ho Chi Minh City University of Technology   (Viet Nam)

^c VOLGOGRAD STATE TECHNICAL UNIVERSITY   (Russian Federation)

Author keywords

B2S; Electronic structure calculations; Feed forward neural network; Molecular dynamics; Potential energy surface; Symmetry exchange

Indexed keywords

EID: 84886221232     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2013.09.007     Document Type: Article

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