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Daniil A. Fedotov
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TURBOMOLE: Today and tomorrow
YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ...
Journal of chemical theory and computation 19 (20), 6859-6890, 2023
562023
Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol
V Vaz da Cruz, N Ignatova, RC Couto, DA Fedotov, DR Rehn, ...
The Journal of chemical physics 150 (23), 2019
302019
Excited-state absorption of uracil in the gas phase: mapping the main decay paths by different electronic structure methods
DA Fedotov, AC Paul, P Posocco, F Santoro, M Garavelli, H Koch, ...
Journal of Chemical Theory and Computation 17 (3), 1638-1652, 2021
192021
Structure Elucidation of Prenyl- and Geranyl-Substituted Coumarins in Gerbera piloselloides by NMR Spectroscopy, Electronic Circular Dichroism Calculations …
T Li, X Ma, D Fedotov, L Kjaerulff, K Frydenvang, S Coriani, PR Hansen, ...
Molecules 25 (7), 1706, 2020
142020
Optical activity and spin polarization: The Surface Effect
TS Metzger, H Batchu, A Kumar, DA Fedotov, N Goren, DK Bhowmick, ...
Journal of the American Chemical Society 145 (7), 3972-3977, 2023
132023
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study
DA Fedotov, AC Paul, H Koch, F Santoro, S Coriani, R Improta
Physical Chemistry Chemical Physics 24 (8), 4987-5000, 2022
82022
Damped (linear) response theory within the resolution-of-identity coupled cluster singles and approximate doubles (RI-CC2) method
DA Fedotov, S Coriani, C Hättig
The Journal of Chemical Physics 154 (12), 2021
72021
Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order
DA Fedotov, M Scott, M Scheurer, DR Rehn, A Dreuw, S Coriani
The Journal of Chemical Physics 157 (17), 2022
42022
A subgroup of light-driven sodium pumps with an additional Schiff base counterion
E Podoliak, GHU Lamm, E Marin, AV Schellbach, DA Fedotov, ...
Nature Communications 15 (1), 3119, 2024
12024
In search of visual opsin ofLissachatina fulica:in silicoprediction
IN Dominova, DA Fedotov, S Shirina, V Zikin, VV Zhukov
2024
In search of visual opsin of Lissachatina fulica: in silico prediction
DA Fedotov, IN Dominova, VV Zhukov, S Shirina, V Zikin
bioRxiv, 2024.03. 19.585790, 2024
2024
A novel subgroup of light-driven sodium pumps with an additional Schiff base counterion
E Podoliak, GHU Lamm, A Alekseev, E Marin, AV Schellbach, DA Fedotov, ...
bioRxiv, 2023.10. 11.561842, 2023
2023
Development and Application of Second-Order Methods for UV-VIS Spectroscopy of Organic Molecules
D Fedotov
DTU Chemistry, 2021
2021
Revealing molecular secrets by theoretical beamlines
S Coriani, ML Vidal, T Moitra, D Fedotov, R Faber
9th Molecular Quantum Mechanics Conference, 2019
2019
Кинетика радиального роста камбиальных производных при отсутствии скольжения
ДА Федотов
Сибирский федеральный университет, 2016
2016
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Articles 1–15