Ab initio calculations relevant to the mechanism of chemical carcinogenesis byN-nitrosamines. VIII. Effects of hydration on various reactions involved in the formation and metabolism ofN-nitrosamines

Rosanna Bonaccorsi; Jocopo Tomasi; Christopher A. Reynolds; C. Thomson

doi:10.1002/jcc.540090708

Ab initio calculations relevant to the mechanism of chemical carcinogenesis byN-nitrosamines. VIII. Effects of hydration on various reactions involved in the formation and metabolism ofN-nitrosamines

Journal of Computational Chemistry ◽

10.1002/jcc.540090708 ◽

1988 ◽

Vol 9 (7) ◽

pp. 779-783 ◽

Cited By ~ 6

Author(s):

Rosanna Bonaccorsi ◽

Jocopo Tomasi ◽

Christopher A. Reynolds ◽

C. Thomson

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

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Ab initio calculations relevant to the mechanism of chemical carcinogenesis byN-nitrosamines. I. The nitrosation of amines

International Journal of Quantum Chemistry ◽

10.1002/qua.560260718 ◽

1984 ◽

Vol 26 (S11) ◽

pp. 167-181 ◽

Cited By ~ 11

Author(s):

Christopher Reynolds ◽

Colin Thomson

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

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Ab-initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)87016-6 ◽

1986 ◽

Vol 138 (1-2) ◽

pp. 131-139 ◽

Cited By ~ 5

Author(s):

Christopher A. Reynolds ◽

Colin Thomson

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

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Ab initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(87)87033-1 ◽

1987 ◽

Vol 149 (3-4) ◽

pp. 345-351 ◽

Cited By ~ 8

Author(s):

Christopher A. Reynolds ◽

Colin Thomson

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

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ChemInform Abstract: Ab initio Calculations Relevant to the Mechanism of Chemical Carcinogenesis by N-Nitrosamines. Part 7. The Nitrosation of Amines by Nitrosyl Chloride.

ChemInform ◽

10.1002/chin.198749026 ◽

1987 ◽

Vol 18 (49) ◽

Author(s):

C. A. REYNOLDS ◽

C. THOMSON

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Nitrosyl Chloride ◽

Mechanism Of Chemical Carcinogenesis

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Ab Initio calculations relevant to the mechanism of chemical carcinogenesis II: The nitrous acidium ion-a powerful nitrosating agent

International Journal of Quantum Chemistry ◽

10.1002/qua.560280726 ◽

2009 ◽

Vol 28 (S12) ◽

pp. 263-279

Author(s):

C. A. Reynolds ◽

C. Thomson

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

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ChemInform Abstract: Ab initio Calculations Relevant to the Mechanism of Chemical Carcinogenesis by Nitrosamines. Part 5. The Role of Diazomethane.

ChemInform ◽

10.1002/chin.198718371 ◽

1987 ◽

Vol 18 (18) ◽

Author(s):

C. A. REYNOLDS ◽

C. THOMSON

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

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Ab initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. Part 7. The nitrosation of amines by nitrosyl chloride

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29870001337 ◽

1987 ◽

pp. 1337 ◽

Cited By ~ 5

Author(s):

Christopher A. Reynolds ◽

Colin Thomson

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Nitrosyl Chloride ◽

Mechanism Of Chemical Carcinogenesis

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ChemInform Abstract: Ab initio Calculations Relevant to the Mechanism of Chemical Carcinogenesis by N-Nitrosamines. Part 6. The Dissociation of Methyldiazohydroxide

ChemInform ◽

10.1002/chin.198721309 ◽

1987 ◽

Vol 18 (21) ◽

Author(s):

C. A. REYNOLDS ◽

C. THOMSON

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

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Ab initio calculations relevant to the mechanism of chemical carcinogenesis by nitrosamines. Part 5. The role of diazomethane

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29860001927 ◽

1986 ◽

pp. 1927 ◽

Cited By ~ 6

Author(s):

Christopher A. Reynolds ◽

Colin Thomson

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Mechanism Of Chemical Carcinogenesis

Download Full-text

Ab initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. Part 3.—Transition structures in nitrosamine formation and metabolism

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29878300485 ◽

1987 ◽

Vol 83 (3) ◽

pp. 485-502 ◽

Cited By ~ 4

Author(s):

Christopher A. Reynolds ◽

Colin Thomsonr

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Chemical Carcinogenesis ◽

Transition Structures ◽

Mechanism Of Chemical Carcinogenesis

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