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Volumn 121, Issue 22, 1999, Pages 5170-5175

Ab initio quantum-mechanical study of the stability of cyclic α- acetoxy-N-nitrosamines: Amine N→NO dative bonding in α-hydroxy-N- nitrosamines versus N→carbocation dative bonding in N-nitrosiminium ions

Author keywords

[No Author keywords available]

Indexed keywords

ALPHA HYDROXY N NITROSOPIPERIDINE; ALPHA HYDROXY N NITROSOPYRROLIDINE; NITROSAMINE; PYRROLIDINE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 0033538302     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja990298x     Document Type: Article
Times cited : (13)

References (44)
  • 2
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    • (b) Nitrosamines and Related N-Nitroso Compounds. Chemistry and Biochemistry; Loeppky, R. N., Michejda, C. N., Eds.; ACS Symposium Series No. 533; American Chemical Society, Washington, DC, 1994.
    • (1994) ACS Symposium Series , vol.533
    • Loeppky, R.N.1    Michejda, C.N.2
  • 13
    • 0000482912 scopus 로고    scopus 로고
    • and references therein
    • The reactions of α-hydroxy-N-nitrosamines might parallel the chemistry of aminocarbinols: Hall, N. E.; Smith, B. J. J. Phys. Chem. A 1998, 102, 4930, and references therein.
    • (1998) J. Phys. Chem. A , vol.102 , pp. 4930
    • Hall, N.E.1    Smith, B.J.2
  • 21
    • 15044348102 scopus 로고    scopus 로고
    • and references therein
    • NBO Method: (a) Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO Version 3.1. (b) Glendening, E. D.; Weinhold, F. J. Comput. Chem. 1998, 19, 628, and references therein.
    • (1998) J. Comput. Chem. , vol.19 , pp. 628
    • Glendening, E.D.1    Weinhold, F.2
  • 24
    • 0344311116 scopus 로고    scopus 로고
    • The acronym CHELP stands for charges derived from the electrostatic potential and "G" denotes a specific version
    • (b) The acronym CHELP stands for charges derived from the electrostatic potential and "G" denotes a specific version.
  • 26
    • 11644300961 scopus 로고    scopus 로고
    • CHELP theory: (a) Sigfridsson, E.; Ryde, U. J. Comput, Chem. 1998, 19, 377. (b) Carey, C.; Chirlian, L. E.; Francl, M. M.; Gange, D. M. Glycoconjugate J. 1997, 14, 501. (c) Francl, M. M.; Carey, C.; Chirlian, L. E.; Gange, D. M. J. Comput. Chem. 1996, 17, 367.
    • (1998) J. Comput, Chem. , vol.19 , pp. 377
    • Sigfridsson, E.1    Ryde, U.2
  • 27
    • 0030756946 scopus 로고    scopus 로고
    • CHELP theory: (a) Sigfridsson, E.; Ryde, U. J. Comput, Chem. 1998, 19, 377. (b) Carey, C.; Chirlian, L. E.; Francl, M. M.; Gange, D. M. Glycoconjugate J. 1997, 14, 501. (c) Francl, M. M.; Carey, C.; Chirlian, L. E.; Gange, D. M. J. Comput. Chem. 1996, 17, 367.
    • (1997) Glycoconjugate J. , vol.14 , pp. 501
    • Carey, C.1    Chirlian, L.E.2    Francl, M.M.3    Gange, D.M.4
  • 28
    • 0343380162 scopus 로고    scopus 로고
    • CHELP theory: (a) Sigfridsson, E.; Ryde, U. J. Comput, Chem. 1998, 19, 377. (b) Carey, C.; Chirlian, L. E.; Francl, M. M.; Gange, D. M. Glycoconjugate J. 1997, 14, 501. (c) Francl, M. M.; Carey, C.; Chirlian, L. E.; Gange, D. M. J. Comput. Chem. 1996, 17, 367.
    • (1996) J. Comput. Chem. , vol.17 , pp. 367
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  • 29
    • 0032021306 scopus 로고    scopus 로고
    • and references therein
    • Baker, L. A.; Su, S. Chem. Phys. 1998, 228, 9, and references therein.
    • (1998) Chem. Phys. , vol.228 , pp. 9
    • Baker, L.A.1    Su, S.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.