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Volumn 124, Issue 41, 2002, Pages 12200-12209

Model chemistry calculations of thiophene dimer interactions: Origin of π-stacking

Author keywords

[No Author keywords available]

Indexed keywords

INTERMOLECULAR INTERACTIONS;

EID: 0037120835     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0204877     Document Type: Article
Times cited : (215)

References (70)
  • 53
    • 2142687354 scopus 로고
    • University of Cambridge: Cambridge, (a suite of quantum chemistry programs developed by R D Amos with contributions from I L Alberts J S Andrews S M Colwell N C Handy D Jayatilaka P J Knowles R Kobayashi K E Laidig G Laming A M Lee P E Maslen C W Murray J E Rice E D Simandiras A J Stone M D Su and D J Tozer
    • Amos, R. D. CADPAC: The Cambridge Analytical Derivatives Package, Issue 6; University of Cambridge: Cambridge, 1995 (a suite of quantum chemistry programs developed by R. D. Amos, with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, K. E. Laidig, G. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, J. E. Rice, E. D. Simandiras, A. J. Stone, M. D. Su, and D. J. Tozer).
    • (1995) CADPAC: The Cambridge Analytical Derivatives Package , Issue.6
    • Amos, R.D.1
  • 61
    • 2142748263 scopus 로고    scopus 로고
    • note
    • Nonbonding interactions can be separated into two main types. One is long-range interactions, such as electrostatic and dispersion interactions, where the energy of interaction behaves as some inverse power of R. Another is short-range interactions, such as exchange-repulsion and charge-transfer interactions. Short-range interactions arise at distances where the molecular wave functions overlap significantly. The energies of short-range interactions decrease exponentially with distance.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.