Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2016

Идентификатор DOI: 10.1134/S0022476616020074

Ключевые слова: atomic and electronic structure, functional density methods, absorption spectra, excited states, xylophages, pheromones

Аннотация: The B3LYD /6-31(p,d) density functional method is applied to pheromones of the forest xylophagous insects Ips typographus L., Monochamus urussovi Fisch., and Monochamus galloprovincialis Oliv. to calculate the absorption spectra and find excited states. The calculated results are used to assess the possible activity of the molecules when they are affected by solar radiation.

Журнал: JOURNAL OF STRUCTURAL CHEMISTRY

Выпуск журнала: Vol. 57, Is. 2

Номера страниц: 287-293

ISSN журнала: 00224766

Место издания: NEW YORK

Издатель: MAIK NAUKA/INTERPERIODICA/SPRINGER

• Artyushenko P.V. (Kirensky Institute of Physics,Siberian Branch,Russian Academy of Sciences)
• Tomilin F.N. (Siberian Federal University)
• Ovchinnikov S.G. (Siberian Federal University)
• Kuzubov A.A. (Siberian Federal University)
• Tsikalova P.E. (International Research Center for Studies of Extreme States of the Organism,KSC Presidium,Siberian Branch,Russian Academy of Sciences)
• Ovchinnikova T.M. (Sukachev Institute of Forest,Siberian Branch,Russian Academy of Sciences)
• Soukhovolsky V.G. (Sukachev Institute of Forest,Siberian Branch,Russian Academy of Sciences)

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