Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents
Cruz, Gustavo N., Lima, Filipe S.
, Dias, Luís G. , El Seoud, Omar A., Horinek, Dominik , Chaimovich, Hernan and Cuccovia, Iolanda M.
(2015)
Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents.
The Journal of Organic Chemistry 80 (17), pp. 8637-8642.
Date of publication of this fulltext: 19 Dec 2024 07:23
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| Item type | Article | ||||
| Journal or Publication Title | The Journal of Organic Chemistry | ||||
| Publisher: | AMER CHEMICAL SOC | ||||
|---|---|---|---|---|---|
| Place of Publication: | WASHINGTON | ||||
| Volume: | 80 | ||||
| Number of Issue or Book Chapter: | 17 | ||||
| Page Range: | pp. 8637-8642 | ||||
| Date | 2015 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie | ||||
| Identification Number |
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| Keywords | DERIVING ATOMIC CHARGES; ELECTROSTATIC POTENTIALS; INTERFACIAL COMPOSITIONS; ASSOCIATION COLLOIDS; ARENEDIAZONIUM SALTS; FORCE-FIELD; BASIS-SETS; AB-INITIO; DENSITY; MECHANISM; | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 60118 |
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