E-LIB Suche - Ergebnisse für: Sokolov, Alexander Yu.

1

Consistent Second-Order Treatment of Spin–Orbit Coupling an..:

Majumder, Rajat ; Sokolov, Alexander Yu.
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4676-4688 , 2024

Link: https://doi.org/10.1021/..

2

Quantifying spin contamination in algebraic diagrammatic co..:

Stahl, Terrence L. ; Sokolov, Alexander Yu.
The Journal of Chemical Physics. 160 (2024) 20 - p. , 2024

Link: https://doi.org/10.1063/..

3

Simulating transient X-ray photoelectron spectra of Fe(CO)5..:

Gaba, Nicholas P. ; de Moura, Carlos E. V. ; Majumder, Rajat.
Physical Chemistry Chemical Physics. 26 (2024) 22 - p. 15927-15938 , 2024

Link: https://doi.org/10.1039/..

4

Core-Excited States and X-ray Absorption Spectra from Multi..:

Mazin, Ilia M. ; Sokolov, Alexander Yu.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

5

Electronic Structure and Ultrafast Electron Dynamics in CuO..:

Bandaranayake, Savini ; Patnaik, Ananya ; Hruska, Emily...
The Journal of Physical Chemistry Letters. 14 (2023) 15 - p. 3643-3650 , 2023

Link: https://doi.org/10.1021/..

6

C(sp3)–H cyanation by a formal copper(iii) cyanide complex:

Bower, Jamey K. ; Reese, Maxwell S. ; Mazin, Ilia M....
Chemical Science. 14 (2023) 5 - p. 1301-1307 , 2023

Link: https://doi.org/10.1039/..

7

Simulating Spin–Orbit Coupling with Quasidegenerate N-Elect..:

Majumder, Rajat ; Sokolov, Alexander Yu.
The Journal of Physical Chemistry A. 127 (2023) 2 - p. 546-559 , 2023

Link: https://doi.org/10.1021/..

8

Erratum: "Third-order algebraic diagrammatic construction t..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
The Journal of Chemical Physics. 158 (2023) 13 - p. 139901 , 2023

Link: https://doi.org/10.1063/..

9

Two-State Hydrogen Atom Transfer Reactivity of Unsymmetric ..:

Carter, Samantha ; Tao, Wenjie ; Majumder, Rajat..
Journal of the American Chemical Society. 145 (2023) 32 - p. 17779-17785 , 2023

Link: https://doi.org/10.1021/..

10

Algebraic Diagrammatic Construction Theory for Simulating C..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3037-3053 , 2023

Link: https://doi.org/10.1021/..

11

Non-Dyson Algebraic Diagrammatic Construction Theory for Ch..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
Journal of Chemical Theory and Computation. 18 (2022) 9 - p. 5337-5348 , 2022

Link: https://doi.org/10.1021/..

12

Quantifying and reducing spin contamination in algebraic di..:

Stahl, Terrence L. ; Banerjee, Samragni ; Sokolov, Alexander Yu.
The Journal of Chemical Physics. 157 (2022) 4 - p. , 2022

Link: https://doi.org/10.1063/..

13

Priorities of federal and regional legal policy in the fiel..:

Sokolov, Alexander Yu. ; Soldatkina, Oksana L.
RUDN Journal of Law. 26 (2022) 3 - p. 705-724 , 2022

Link: https://doi.org/10.22363..

14

Simulating X-ray photoelectron spectra with strong electron..:

de Moura, Carlos E. V. ; Sokolov, Alexander Yu.
Physical Chemistry Chemical Physics. 24 (2022) 8 - p. 4769-4784 , 2022

Link: https://doi.org/10.1039/..

15

Electrochemical Strategy for Proton Relay Installation Enha..:

Lin, Shaoyang ; Banerjee, Samragni ; Fortunato, Matthew T....
Journal of the American Chemical Society. 144 (2022) 44 - p. 20267-20277 , 2022

Link: https://doi.org/10.1021/..