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Volumn 73, Issue 1, 2008, Pages 12-21

Mechanism of thiolate-disulfide interchange reactions in biochemistry

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; ION EXCHANGE; ORGANIC COMPOUNDS; POTENTIAL ENERGY; SOLVENTS;

EID: 37549062553     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo702051f     Document Type: Article
Times cited : (123)

References (63)
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    • Müller, F, Ed, CRC Press: Boca Raton, FL
    • (a) Williams, C. H., Jr. Lipoamide dehydrogenase, glutathione reductase, thioredoxin reductase, and mercuric ion reductase-A family of flavoenzyme transhydrogenases. In Chemistry and Biochemistry of Flavoenzymes; Müller, F., Ed.; CRC Press: Boca Raton, FL, 1992; Vol. III, pp 121-211
    • (1992) Chemistry and Biochemistry of Flavoenzymes , vol.3 , pp. 121-211
    • Williams Jr., C.H.1
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    • Frisch, M. J. et al. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
    • (a) Frisch, M. J. et al. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
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    • Frisch, M. J. et al. Gaussian 03, revision B.05 (SGI64-G03RevB.05); Gaussian, Inc.: Pittsburgh, PA, 2003.
    • (b) Frisch, M. J. et al. Gaussian 03, revision B.05 (SGI64-G03RevB.05); Gaussian, Inc.: Pittsburgh, PA, 2003.
  • 32
    • 84961985847 scopus 로고    scopus 로고
    • See Supporting Information for full list of authors. (c) Barone, V.; Cossi, M. J. Phys. Chem. A. 1998, 102, 1995.
    • See Supporting Information for full list of authors. (c) Barone, V.; Cossi, M. J. Phys. Chem. A. 1998, 102, 1995.
  • 43
    • 37549049886 scopus 로고    scopus 로고
    • NBO Version 3.1. Glendening, E. D, Reed, A. E, Carpenter, J. E, Weinhold, F
    • (a) NBO Version 3.1. Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F.
  • 52
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    • For earlier discussions concerning the nature of chemical bonding in hypervalent molecules, see
    • (a) For earlier discussions concerning the nature of chemical bonding in hypervalent molecules, see: Reed, A. E.; Schleyer, P. v. R. J. Am. Chem. Soc. 1990, 112, 1434.
    • (1990) J. Am. Chem. Soc , vol.112 , pp. 1434
    • Reed, A.E.1    Schleyer, P.V.R.2
  • 53
    • 0032569184 scopus 로고    scopus 로고
    • An excellent discussion of revised models for hypervalent bonding my be found in: Dobado, J. A, Martinez-Garcia, H, Molina, J. M, Sundberg, M. R. J. Am. Chem. Soc. 1998, 120, 8461
    • (b) An excellent discussion of revised models for hypervalent bonding my be found in: Dobado, J. A.; Martinez-Garcia, H.; Molina, J. M.; Sundberg, M. R. J. Am. Chem. Soc. 1998, 120, 8461.
  • 60
    • 37549001471 scopus 로고    scopus 로고
    • It is not yet practical to perform a frequency calculation on a system this large with the 6-311+G(3df,2p) basis set (1608 basis functions). In all of the previous exercises, we obtained the same results with medium and large basis sets (MB and LB).
    • It is not yet practical to perform a frequency calculation on a system this large with the 6-311+G(3df,2p) basis set (1608 basis functions). In all of the previous exercises, we obtained the same results with medium and large basis sets (MB and LB).
  • 61
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    • N2 attack at carbon vs silicon, see: Bento, A. P.; Sola, M.; Bickelhaupt, F. M. J. Comput. Chem. 2005, 26, 1497.
    • N2 attack at carbon vs silicon, see: Bento, A. P.; Sola, M.; Bickelhaupt, F. M. J. Comput. Chem. 2005, 26, 1497.
  • 62
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    • For explanations concerning those steric factors involved in the disappearance of the central barrier for SN2 attack at silicon, see: Bento, A. P, Bickelhaupt, F. M. J. Org. Chem. 2007, 72, 2201
    • N2 attack at silicon, see: Bento, A. P.; Bickelhaupt, F. M. J. Org. Chem. 2007, 72, 2201.
  • 63
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    • For a thorough theoretical analysis of the origin of the disappearance and reappearance of reaction barriers for SN2 attack at phosphorus, see: van Bochove, M. A, Swart, M, Bickelhaupt, F. M. J. Am. Chem. Soc. 2006, 128, 10738
    • N2 attack at phosphorus, see: van Bochove, M. A.; Swart, M.; Bickelhaupt, F. M. J. Am. Chem. Soc. 2006, 128, 10738.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.