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X
Bokarev, Sergey I.
157  Ergebnisse:
Personensuche X
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1

Spin–flip dynamics in core-excited states in the basis of i..:

Romig, Thies ; Kochetov, Vladislav ; Bokarev, Sergey I.
The Journal of Chemical Physics.  159 (2023)  11 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

The OpenMolcas Web: A Community-Driven Approach to Advancin..:

Li Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali...
Journal of Chemical Theory and Computation.  19 (2023)  20 - p. 6933-6991 , 2023
Link: https://doi.org/10.1021/..
 
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3

Can range-separated functionals be optimally tuned to predi..:

Zobel, J. Patrick ; Kruse, Ayla ; Baig, Omar...
Chemical Science.  14 (2023)  6 - p. 1491-1502 , 2023
Link: https://doi.org/10.1039/..
 
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4

A Multiconfigurational Wave Function Implementation of the ..:

Kaiser, Andy ; Daoud, Razan E. ; Aquilante, Francesco...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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5

Valence and Core Photoelectron Spectra of Aqueous I3− from ..:

Kochetov, Vladislav ; Ahsan, Md Sabbir ; Hein, Dennis..
Molecules.  28 (2023)  14 - p. 5319 , 2023
Link: https://doi.org/10.3390/..
 
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6

Computing photoelectron spectra employing unique continuum ..:

Marx, Tobias ; Bokarev, Sergey I.
Physical Review A.  106 (2022)  3 - p. , 2022
Link: https://doi.org/10.1103/..
 
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7

Multireference Approach to Normal and Resonant Auger Spectr..:

Tenorio, Bruno Nunes Cabral ; Voß, Torben Arne ; Bokarev, Sergey I...
Journal of Chemical Theory and Computation.  18 (2022)  7 - p. 4387-4407 , 2022
Link: https://doi.org/10.1021/..
 
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8

Probing the molecular structure of aqueous triiodide via X-..:

Ahsan, Md Sabbir ; Kochetov, Vladislav ; Hein, Dennis..
Physical Chemistry Chemical Physics.  24 (2022)  25 - p. 15540-15555 , 2022
Link: https://doi.org/10.1039/..
 
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9

Site‐Selective Real‐Time Observation of Bimolecular Electro..:

Britz, Alexander ; Bokarev, Sergey I. ; Assefa, Tadesse A....
ChemPhysChem.  22 (2021)  7 - p. 693-700 , 2021
Link: https://doi.org/10.1002/..
 
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10

2p x-ray absorption spectroscopy of 3d transition metal sys..:

de Groot, Frank M.F. ; Elnaggar, Hebatalla ; Frati, Federica...
Journal of Electron Spectroscopy and Related Phenomena.  249 (2021)  - p. 147061 , 2021
Link: https://doi.org/10.1016/..
 
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11

RhoDyn: A ρ-TD-RASCI Framework to Study Ultrafast Electron ..:

Kochetov, Vladislav ; Bokarev, Sergey I.
Journal of Chemical Theory and Computation.  18 (2021)  1 - p. 46-58 , 2021
Link: https://doi.org/10.1021/..
 
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12

Solvation and speciation of cobalt(II). A theoretical X-ray..:

Allehyani, Basmah H. ; Hassan, Walid I. ; Aziz, Saadullah G....
Chemical Physics.  532 (2020)  - p. 110681 , 2020
Link: https://doi.org/10.1016/..
 
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13

Effect of chemical structure on the ultrafast spin dynamics..:

Kochetov, Vladislav ; Wang, Huihui ; Bokarev, Sergey I.
The Journal of Chemical Physics.  153 (2020)  4 - p. 044304 , 2020
Link: https://doi.org/10.1063/..
 
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14

Multi-reference protocol for (auto)ionization spectra: Appl..:

Grell, Gilbert ; Bokarev, Sergey I.
The Journal of Chemical Physics.  152 (2020)  7 - p. 074108 , 2020
Link: https://doi.org/10.1063/..
 
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15

Multireference quantum chemistry protocol for simulating au..:

Grell, Gilbert ; Kühn, Oliver ; Bokarev, Sergey I.
Physical Review A.  100 (2019)  4 - p. , 2019
Link: https://doi.org/10.1103/..
 
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