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Volumn 763, Issue 1-3, 2006, Pages 187-198

Ab inito study and NBO analysis of the enantiomerization energy profile of tetra-peri-substituted overcrowded naphthalenes

Author keywords

Ab initio; Chiral stability; Molecular modeling; Tetra peri substituted naphthalene

Indexed keywords


EID: 33748055435     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.01.032     Document Type: Article
Times cited : (12)

References (25)
  • 13
    • 33748071860 scopus 로고    scopus 로고
    • 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, 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, M. Head-Gordon, E.S. Replogle, J.A. Pople. gaussian 98 (Revision A.3), Gaussian, Inc., Pittsburgh, PA, USA, 1998.
  • 18
    • 33748071523 scopus 로고    scopus 로고
    • E. D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO Version 3.1.
  • 20
    • 33748072503 scopus 로고    scopus 로고
    • Serena Software, Box 3076, Bloomington IN, USA.
  • 21
    • 33748078532 scopus 로고    scopus 로고
    • J.J.P. Stewart, QCPE 581, Department of Chemistry, Indiana University, Bloomington, IN, USA.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.