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Volumn 106, Issue 12, 2002, Pages 2945-2948

Is the T-shaped toluene dimer a stable intermolecular complex?

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY STRUCTURES; MOLECULAR MECHANICS;

EID: 0037187992     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0137975     Document Type: Article
Times cited : (39)

References (29)
  • 13
    • 0011117377 scopus 로고    scopus 로고
    • note
    • Toluene, in fact, like phenylalanine, has a small dipole moment which could be important in the balance of electrostatic and dispersive forces for the stabilization of the various competing structures, such as T-shaped or stacked.
  • 27
    • 0011147291 scopus 로고    scopus 로고
    • note
    • There is however a misprint in ref. 11: entries 2.33 kcal/mol in Table 2 and 1.95 kcal/mol in Table 3 should be interchanged.
  • 29
    • 0011112610 scopus 로고    scopus 로고
    • note
    • The non monotonic behavior of the MP2 energy is due to the fact that the trajectory was not obtained by a full BSSE-corrected minimization but with au empirical potential.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.