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pro vyhledávání: '"Alexey V. Mayorov"'
Autor:
Artem S Kasianov, Anna V Klepikova, Alexey V Mayorov, Gleb S Buzanov, Maria D Logacheva, Aleksey A Penin
Publikováno v:
PLoS Computational Biology, Vol 19, Iss 1, p e1010743 (2023)
Interspecific gene comparisons are the keystones for many areas of biological research and are especially important for the translation of knowledge from model organisms to economically important species. Currently they are hampered by the low resolu
Externí odkaz:
https://doaj.org/article/7d52097cb6b1405681baa2bb793995f2
Publikováno v:
Monatshefte für Chemie - Chemical Monthly. 153:609-621
Autor:
Ekaterina A. Shirokova, Alexey G. Razuvaev, Alexey V. Mayorov, Bálint Aradi, Thomas Frauenheim, Stanislav K. Ignatov
Publikováno v:
Journal of Cluster Science.
Publikováno v:
PROCEEDINGS OF THE II INTERNATIONAL CONFERENCE ON ADVANCES IN MATERIALS, SYSTEMS AND TECHNOLOGIES: (CAMSTech-II 2021).
Autor:
Bálint Aradi, Alexander A. Avdoshin, Anastasiia S. Loginova, Alexey V. Mayorov, Thomas Frauenheim, Stanislav K. Ignatov, Vladimir S. Naumov
Publikováno v:
International Journal of Quantum Chemistry. 121
Publikováno v:
Computational and Theoretical Chemistry. 1186:112904
We used the double-hybrid DFT functional B2PLYP and the MP2 approximation to determine the roles of the Criegee and DeMore mechanisms in the first step of the ozonolysis of trans-isoprene. We confirmed the predicted structures of the transition state