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Volumn 118, Issue 9, 2003, Pages 4037-4044

Contrasting origins of the isomerization barriers for vinylidene, fluorovinylidene, and difluorovinylidene

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; CALCULATIONS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRONIC DENSITY OF STATES; FLUORINE; FLUORINE CONTAINING POLYMERS; HYDROGEN BONDS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; VINYL RESINS;

EID: 0037336814     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1540625     Document Type: Article
Times cited : (23)

References (54)
  • 39
    • 0012279208 scopus 로고    scopus 로고
    • note
    • 3). Therefore, the positions of nuclei correspond to (3, -3) critical points, and the presence of a bond is indicated by a (3, -1) bond critical point. The construct a molecular graph, critical points are linked by bond paths; bond paths correspond to lines along which the electron density is a maximum with respect to any neighboring line.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.