Insights into the Photodecomposition of Azidomethyl Methyl Sulfide: A S2/S1 Conical Intersection on Nitrene Potential Energy Surfaces Leading to the Formation of S-Methyl- N-sulfenylmethanimine - «Национальный агрегатор открытых репозиториев российских университетов» (НОРА)

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Insights into the Photodecomposition of Azidomethyl Methyl Sulfide: A S2/S1 Conical Intersection on Nitrene Potential Energy Surfaces Leading to the Formation of S-Methyl- N-sulfenylmethanimine

Algarra M., Soto J., Pino-González M.S., Rodríguez-Borges J.E., Mascetti J., Borget F., Reisi-Vanani A., Luque R., Pinto Da Silva L.

Дата публикации в реестре: 2021-08-05T20:44:45Z

Аннотация:

Ключевые слова:
Fourier transform infrared spectroscopy, Photolysis, Potential energy, Quantum chemistry, Sulfur compounds, Temperature, Complete active space self consistent fields, Conical intersection, Infrared matrix isolation, Infrared spectrum, Low temperature matrices, Photo-decomposition, Second order perturbation, Theoretical methods, Density functional theory

Тип: Article

Права: open access

Источник: Journal of Physical Chemistry A

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