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Volumn 10, Issue 4, 2008, Pages 423-436

On the hydrogen bond nature of the C-H⋯F interactions in molecular crystals. An exhaustive investigation combining a crystallographic database search and ab initio theoretical calculations

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EID: 41649083956     PISSN: 14668033     EISSN: 14668033     Source Type: Journal    
DOI: 10.1039/b717276c     Document Type: Article
Times cited : (122)

References (58)
  • 6
    • 0003438540 scopus 로고
    • Cornell University Press, Ithaca, NY, 3rd edn, p. 449
    • L. Pauling, The Nature of the Chemical Bond, Cornell University Press, Ithaca, NY, 3rd edn, 1960, p. 449
    • (1960) The Nature of the Chemical Bond
    • Pauling, L.1
  • 39
    • 0003438540 scopus 로고
    • Cornell University Press, Ithaca, NY, 3rd edn, pp. 622: "In Chapter 3 and other chapters of this book much use if made of bond-energy values. These values are chosen in such a way that their sum over all of the bonds of a molecule which can be satisfactorily represented by a single valence-bond structure is equal to the enthalpy of formation of the molecule from its constituent atoms in their normal states."
    • L. Pauling, The Nature of the Chemical Bond, (Cornell University Press, Ithaca, NY, 3rd edn, 1960) pp. 622: "In Chapter 3 and other chapters of this book much use if made of bond-energy values. These values are chosen in such a way that their sum over all of the bonds of a molecule which can be satisfactorily represented by a single valence-bond structure is equal to the enthalpy of formation of the molecule from its constituent atoms in their normal states."
    • (1960) The Nature of the Chemical Bond
    • Pauling, L.1
  • 41
    • 0004166732 scopus 로고
    • H. B. Bürgi, J. D. Dunitz, vol. 1 and 2, VCH, Weinheim, The cone correction (analyze the angle probability as a functions of sin() rather than ) is needed in statistical analysis of crystal packing to get a collinear trend. It introduces in the analysis the fact that as the angle moves away from 180° the number of possible volume units increases as sin(). See:
    • Structure correlation, ed., H. B. Bürgi,,, J. D. Dunitz,, vol. 1 and 2, VCH, Weinheim, 1994
    • (1994) Structure Correlation, Ed.
  • 57
    • 41649109196 scopus 로고    scopus 로고
    • -2 atomic units
    • -2 atomic units


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.