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Volumn 13, Issue 2, 2007, Pages 677-682

G2(+) investigation on the α-effect in the SN2 reactions at saturated carbon

Author keywords

Ab initio calculations; Alpha effect; Gas phase reactions; Transition states

Indexed keywords

CARRIER CONCENTRATION; DEFORMATION; PROTONS; SATURATION (MATERIALS COMPOSITION); TRANSITION METALS;

EID: 33846197978     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200600203     Document Type: Article
Times cited : (57)

References (37)
  • 7
    • 33845555418 scopus 로고
    • S. Hoz, J. Org. Chem. 1982, 47, 3545-3547.
    • (1982) J. Org. Chem , vol.47 , pp. 3545-3547
    • Hoz, S.1
  • 17
    • 30944440751 scopus 로고    scopus 로고
    • Y. Ren, H. Yamataka, Org. Lett. 2006, 8, 119-121; in the previous paper, we have used the term basicity rather than proton affinity that we actually calculated. However, basicity (in terms of free energy) and proton affinity (in terms of enthalpy) varies in a nearly perfect parallel fashion in the gas-phase calculations, the chemistry stays the same.
    • Y. Ren, H. Yamataka, Org. Lett. 2006, 8, 119-121; in the previous paper, we have used the term "basicity" rather than "proton affinity" that we actually calculated. However, basicity (in terms of free energy) and proton affinity (in terms of enthalpy) varies in a nearly perfect parallel fashion in the gas-phase calculations, the chemistry stays the same.
  • 26
    • 33846235376 scopus 로고    scopus 로고
    • Gaussian 98, Revision A.7, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr, R.E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres,C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc, Pittsburgh PA, 1998
    • Gaussian 98, Revision A.7, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R.E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres,C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
  • 36


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.