메뉴 건너뛰기




Volumn 127, Issue 7, 2005, Pages 2249-2255

A computational study of the effect of bending on secondary kinetic isotope effects in SN2 transition states

Author keywords

[No Author keywords available]

Indexed keywords

BENDING (DEFORMATION); ENTHALPY; ENTROPY; REACTION KINETICS;

EID: 13944274816     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0487978     Document Type: Article
Times cited : (27)

References (52)
  • 30
    • 0000189651 scopus 로고
    • Becke, A. D. J. Chem. Phys. 1993, 98, 5648. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 43
    • 13944278916 scopus 로고    scopus 로고
    • note
    • Because the classical translational and rotational energies for each species in eq 3 is 3/2RT, they cancel out and do not contribute to the enthalpy of a KIE.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.