Zobrazeno 1 - 10
of 325
pro vyhledávání: '"Shushkov, A."'
Autor:
Shushkov, Philip
The interaction of electronic spin and molecular vibrations mediated by spin-orbit coupling governs spin relaxation in molecular qubits. I derive an extended molecular spin Hamiltonian that includes both adiabatic and non-adiabatic spin-dependent int
Externí odkaz:
http://arxiv.org/abs/2401.16738
Publikováno v:
J. Phys. Chem C, 2023
In order to develop a better understanding of electrochemical $\mathrm{O_2}$ reduction in non-aqueous solvents, we apply two-photon photoelectron spectroscopy to probe the dynamics of $\mathrm{O_2}$ reduction at a DMSO/Cu(111) model battery interface
Externí odkaz:
http://arxiv.org/abs/2210.13528
Autor:
Myazin V. A., Shushkov D. A., Fokina N. V., Chaporgina A. A., Kanivets A. V., Bryantsev A. V.
Publikováno v:
Vestnik MGTU, Vol 27, Iss 1, Pp 91-102 (2024)
Methods for cleaning oil-contaminated areas include the use of sorbents, the effectiveness of which is enhanced by the immobilization of hydrocarbon-oxidizing microorganisms on their surface. Biogeosorbents are obtained on the basis of mineral raw ma
Externí odkaz:
https://doaj.org/article/27591d81eb76401c92c005e47feb8f4e
Autor:
Perovskiy, Igor A.1,2 (AUTHOR) dashushkov@geo.komisc.ru, Shushkov, Dmitry A.1 (AUTHOR) alex401@rambler.ru, Ponaryadov, Alexey V.1 (AUTHOR), Kalashnikova, Galina O.3 (AUTHOR) g.kalashnikova@ksc.ru, Bazai, Ayya V.3 (AUTHOR), Bocharov, Vladimir N.4 (AUTHOR) regbvn@gmail.com, Panikorovskii, Taras L.2 (AUTHOR)
Publikováno v:
Materials (1996-1944). May2024, Vol. 17 Issue 9, p1991. 21p.
We address the calculation of microcanonical reaction rates for processes involving significant nuclear quantum effects using ring-polymer molecular dynamics (RPMD), both with and without electronically non-adiabatic transitions. After illustrating t
Externí odkaz:
http://arxiv.org/abs/2001.01333
Autor:
Perovskiy, Igor A., Shushkov, Dmitry A., Ponaryadov, Alexey V., Panikorovskii, Taras L., Krivoshapkin, Pavel V.
Publikováno v:
In Journal of Environmental Chemical Engineering October 2023 11(5)
We extend the coupled-cluster method to correlated quantum dynamics of both closed and open systems at finite temperatures using the thermo-field formalism. The approach expresses the time-dependent density matrix in an exponential ansatz and describ
Externí odkaz:
http://arxiv.org/abs/1907.11962
Path-Integral Isomorphic Hamiltonian for Including Nuclear Quantum Effects in Non-adiabatic Dynamics
Publikováno v:
The Journal of Chemical Physics 148, 102327 (2018)
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced, suc
Externí odkaz:
http://arxiv.org/abs/1709.06722
Autor:
Vakhrushev, A. V.1 (AUTHOR) ligrim@mail.ru, Shushkov, A. A.1 (AUTHOR)
Publikováno v:
Technical Physics. Oct2023, Vol. 68 Issue 10, p354-359. 6p.
Autor:
Shushkov, D. A.1 (AUTHOR) dashushkov@geo.komisc.ru, Simakova, Yu. S.1 (AUTHOR)
Publikováno v:
Glass & Ceramics. Sep2023, Vol. 80 Issue 5/6, p205-211. 7p.