A bond energy database for hydrocarbons and related compounds

Petroleum Chemistry

Volumn 43, Issue 1, 2003, Pages 62-64

  Tumanov, V E ^a   Denisov, E T ^a  

^a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

HALIDE; HYDROCARBON; NITROGEN DERIVATIVE; NITROGEN OXIDE; ORGANIC COMPOUND; OXYGEN DERIVATIVE; SULFUR DERIVATIVE;

CALCULATION; CHEMICAL BOND; COMPUTER; COMPUTER PROGRAM; DATA BASE; DISSOCIATION; ELECTRONICS; ENERGY; EVALUATION; KINETICS; RESEARCH; REVIEW;

EID: 8744239230     PISSN: 09655441     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

References (13)

1. Denisov, E.T., Evaluation of Dissociation Energies of C-H Bonds in Hydrocarbons from Kinetic Data, Zh. Fiz. Khim., 1993, vol. 67, no. 12, p. 2416.
2. Denisov, E.T., Evaluation of Dissociation Energies of C-H Bonds in Oxygen-containing Compounds from Kinetic Data, Zh. Fiz. Khim., 1994, vol. 68, no. 1, p. 29.
3. Denisov, E.T., Evaluation of Dissociation Energies of C-X Bonds from Kinetic Data on Radical Abstraction Reactions, Zh. Fiz. Khim., 1995, vol. 69, no. 3, p. 436.
4. Denisov, E.T., Evaluation of Dissociation Energies of O-H Bonds in Phenols Using Kinetic Measurements, Zh. Fiz. Khim., 1995, vol. 69, no. 4, p. 623.
5. Tumanov, V.E. and Denisov, E.T., Evaluation of Dissociation Energies of C-H Bonds in Hydrocarbons from the Rate Constants of Radical Reactions in Terms of the Model of Crossing Morse Functions, Zh. Fiz. Khim., 1995, vol. 69, no. 9, p. 1572.
6. Denisov, E.T., Evaluation of Dissociation Energies of S-H Bonds in Thiophenols and Thioalcohols from Kinetic Data, Zh. Fiz. Khim., 1996, vol. 70, no. 2, p. 260.
7. Tumanov, V.E. and Denisov, E.T., Evaluation of Dissociation Energies of C-H Bonds in Oxygen-containing Compounds in Terms of the Transition State Model as Two Crossing Morse Curves, Zh. Fiz. Khim., 1996, vol. 70, no. 5, p. 801.
8. Denisov, E.T., New Empirical Models for Radical Abstraction Reactions, Usp. Khim., 1997, vol. 66, no. 10, p. 953.
9. Tumanov, V.E. and Denisov, E.T., Evaluation of C-H Bond Dissociation Energies in Hydrocarbons and the Enthalpies of Relevant Radicals from Kinetic Data, Neftekhimiya, 2001, vol. 41, no. 2, p. 108 [Pet. Chem. (Engl. transl.), 2001, vol. 41, no. 2, p. 93].
10. Tumanov, V.E. and Denisov, E.T., Evaluation of C-H Bond Dissociation Energies in Hydrocarbons and the Enthalpies of Relevant Radicals from Kinetic Data, Neftekhimiya, 2001, vol. 41, no. 2, p. 108 [Pet. Chem. (Engl. transl.), 2001, vol. 41, no. 2, p. 93].
11. Kromkin, E. A., Tumanov, V.E., and Denisov, E.T., Evaluation of C-H Bond Dissociation Energies in Alkylaromatic Hydrocarbons and the Enthalpies of Corresponding Radicals from Kinetic Data, Neftekhimiya, 2002, vol.42, no. 1, p. 3 [Pet. Chem. (Engl. transl.), 2002, vol. 42, no. 1, p. 1].
12. Kromkin, E. A., Tumanov, V.E., and Denisov, E.T., Evaluation of C-H Bond Dissociation Energies in Alkylaromatic Hydrocarbons and the Enthalpies of Corresponding Radicals from Kinetic Data, Neftekhimiya, 2002, vol.42, no. 1, p. 3 [Pet. Chem. (Engl. transl.), 2002, vol. 42, no. 1, p. 1].
13. Tumanov, V.E., The Use of the Data Warehouses Technology for Organizing Electronic Data Arrays in Physical Chemistry of Radical Reactions, Abstracts of Papers, Tret'ya Vserossiiskaya molodezhnaya shkola "Superkomp'yuternye vychislitel'no-informatsionnye tekhnologii v fizicheskikh i khimicheskikh issledovaniyakh" (The Third All-Russia Youth Training Session on Supercomputer Information Technologies in Physical and Chemical Studies), Chernogolovka, 2001, p. 91.