Daniil Fedotov - Search Results

Year	Number of Results
2019	1
2020	1
2021	2
2022	2
2023	2
2024	0

1

Franzke YJ, Holzer C, Andersen JH, Begušić T, Bruder F, Coriani S, Della Sala F, Fabiano E, Fedotov DA, Fürst S, Gillhuber S, Grotjahn R, Kaupp M, Kehry M, Krstić M, Mack F, Majumdar S, Nguyen BD, Parker SM, Pauly F, Pausch A, Perlt E, Phun GS, Rajabi A, Rappoport D, Samal B, Schrader T, Sharma M, Tapavicza E, Treß RS, Voora V, Wodyński A, Yu JM, Zerulla B, Furche F, Hättig C, Sierka M, Tew DP, Weigend F. Franzke YJ, et al. Among authors: fedotov da. J Chem Theory Comput. 2023 Oct 24;19(20):6859-6890. doi: 10.1021/acs.jctc.3c00347. Epub 2023 Jun 29. J Chem Theory Comput. 2023. PMID: 37382508 Free PMC article. Review.

2

Optical Activity and Spin Polarization: The Surface Effect.

Metzger TS, Batchu H, Kumar A, Fedotov DA, Goren N, Bhowmick DK, Shioukhi I, Yochelis S, Schapiro I, Naaman R, Gidron O, Paltiel Y. Metzger TS, et al. Among authors: fedotov da. J Am Chem Soc. 2023 Feb 10. doi: 10.1021/jacs.2c10456. Online ahead of print. J Am Chem Soc. 2023. PMID: 36765468

3

Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order.

Fedotov DA, Scott M, Scheurer M, Rehn DR, Dreuw A, Coriani S. Fedotov DA, et al. J Chem Phys. 2022 Nov 7;157(17):174109. doi: 10.1063/5.0123030. J Chem Phys. 2022. PMID: 36347705

4

Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study.

Fedotov DA, Paul AC, Koch H, Santoro F, Coriani S, Improta R. Fedotov DA, et al. Phys Chem Chem Phys. 2022 Feb 23;24(8):4987-5000. doi: 10.1039/d1cp04340d. Phys Chem Chem Phys. 2022. PMID: 35142309

5

Damped (linear) response theory within the resolution-of-identity coupled cluster singles and approximate doubles (RI-CC2) method.

Fedotov DA, Coriani S, Hättig C. Fedotov DA, et al. J Chem Phys. 2021 Mar 28;154(12):124110. doi: 10.1063/5.0042759. J Chem Phys. 2021. PMID: 33810703

6

Structure Elucidation of Prenyl- and Geranyl-Substituted Coumarins in Gerbera piloselloides by NMR Spectroscopy, Electronic Circular Dichroism Calculations, and Single Crystal X-ray Crystallography.

Li T, Ma X, Fedotov D, Kjaerulff L, Frydenvang K, Coriani S, Hansen PR, Kongstad KT, Staerk D. Li T, et al. Among authors: fedotov d. Molecules. 2020 Apr 8;25(7):1706. doi: 10.3390/molecules25071706. Molecules. 2020. PMID: 32276427 Free PMC article.

7

Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.

Fedotov DA, Paul AC, Posocco P, Santoro F, Garavelli M, Koch H, Coriani S, Improta R. Fedotov DA, et al. J Chem Theory Comput. 2021 Mar 9;17(3):1638-1652. doi: 10.1021/acs.jctc.0c01150. Epub 2021 Feb 2. J Chem Theory Comput. 2021. PMID: 33529532 Free article.

8

Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol.

Vaz da Cruz V, Ignatova N, Couto RC, Fedotov DA, Rehn DR, Savchenko V, Norman P, Ågren H, Polyutov S, Niskanen J, Eckert S, Jay RM, Fondell M, Schmitt T, Pietzsch A, Föhlisch A, Gel'mukhanov F, Odelius M, Kimberg V. Vaz da Cruz V, et al. Among authors: fedotov da. J Chem Phys. 2019 Jun 21;150(23):234301. doi: 10.1063/1.5092174. J Chem Phys. 2019. PMID: 31228920

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