Ab Initio Molecular Orbital Study of the Reactivity of Active Alkyl Groups. VI. Modified Reaction Model for the Elimination Process of Nitrosation Reaction

Author:

Ikeda Hirohito1,Yukawa Miho1,Niiya Tokihiro1

Affiliation:

1. Faculty of Pharmaceutical Sciences, Fukuoka University

Publisher

Pharmaceutical Society of Japan

Subject

Drug Discovery,General Chemistry,General Medicine

Reference7 articles.

1. Ab Initio Molecular Orbital Study of Reactivity of Active Alkyl Groups. III. Nitrosation of Acyclic Carbonyl Compound with Methyl Nitrite via Na+ Chelated Transition State.

2. Ab Initio Molecular Orbital Study of Reactivity of Active Alkyl Groups. IV. Nitrosation of Acyclic Carbonyl Compound with Methyl Nitrite via "Open-Chain" Transition State.

3. Ab Initio Molecular Orbital Study of the Reactivity of Active Alkyl Groups. V. Nitrosation Mechanism of Acetone with syn-Form of Methyl Nitrite.

4. 4) Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Zakrzewski V. G., Montgomery J. A., Jr., Stratmann R. E., Burant J. C., Dapprich S., Millam J. M., Daniels A. D., Kudin K. N., Strain M. C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G. A., Ayala P. Y., Cui Q., Morokuma K., Malick D. K., Rabuck A. D., Raghavachari K., Foresman J. B., Cioslowski J., Ortiz J. V., Baboul A. G., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R. L., Fox D. J., Keith T., Al-Laham M. A., Peng C. Y., Nanayakkara A., Challacombe M., Gill P. M. W., Johnson B., Chen W., Wong M. W., Andres J. L., Gonzalez C., Head-Gordon M., Replogle E. S., Pople J. A., “Gaussian 98, Revision A.9,” Gaussian Inc., Pittsburgh, 1998.

5. 5) Foresman, J. B., Frisch A. E., “Exploring Chemistry with Electronic Structure Methods,” 2nd ed., Gaussian Inc., Pittsburgh, 1996.

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