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Volumn 107, Issue 17, 2003, Pages 3064-3068

Electron-diffraction and theoretical investigation of the molecular structure of octafluorobicyclo[2.2.0]hex-1(4)-ene in the gas phase: Another example of a molecule with an unusually long C(sp3)-C(sp3) single bond

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRON DIFFRACTION; ELECTROSTATICS; FLUORINE; MOLECULAR STRUCTURE; MOLECULES; OPTIMIZATION; PHASE COMPOSITION; QUANTUM THEORY;

EID: 0038341742     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022518q     Document Type: Article
Times cited : (9)

References (22)
  • 12
    • 0038756320 scopus 로고    scopus 로고
    • Ph.D. Thesis, Dartmouth College
    • Junk, C. P. Ph.D. Thesis, Dartmouth College, 2000.
    • (2000)
    • Junk, C.P.1
  • 15
    • 0038079657 scopus 로고    scopus 로고
    • note
    • The force fields from the other high level calculations do not differ significantly. This calculation preceded some of the others and it was convenient to proceed with the various quantities obtained with its use in ASYM40.
  • 18
    • 0037742158 scopus 로고    scopus 로고
    • note
    • ij is the number of distances.
  • 21
    • 0037742157 scopus 로고    scopus 로고
    • note
    • Charges from higher levels of theory are available for OFBH, but not for hexafluorocyclobutene. Because it is the relative charges that make the comparisons meaningful, we used the results from the HF/6-31G(d) calculation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.