Alexander Yu. Sokolov

The Ohio State University — United States

Physics and Astronomy · Physical Sciences

21h-index4.2kcitations85works3.42yr avg
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Research Topics

Advanced Chemical Physics Studies(42), Spectroscopy and Quantum Chemical Studies(19), Catalysis and Oxidation Reactions(12), Magnetism in coordination complexes(9), Molecular Junctions and Nanostructures(9)

Publications85 total

From Ground to Excited: Modern Strategies for Modeling Light–Matter Interactions
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
From Ground to Excited: Modern Strategies for Modeling Light–Matter Interactions
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Cytochrome P450 Induction through the Efficient Photoinduced Release of a Pyridine-Substituted Agent from Ru(II)
Journal of the American Chemical Society·2025
Core-Ionized States and X-ray Photoelectron Spectra of Solids from Periodic Algebraic Diagrammatic Construction Theory
The Journal of Physical Chemistry A·2025Open Access
Core-Ionized States and X-ray Photoelectron Spectra of Solids From Periodic Algebraic Diagrammatic Construction Theory
arXiv (Cornell University)·2025Open Access
Algebraic Diagrammatic Construction Theory of Charged Excitations with Consistent Treatment of Spin–Orbit Coupling and Dynamic Correlation
Journal of Chemical Theory and Computation·2025· 3 cited
Simulating Ionized States in Realistic Chemical Environments with Algebraic Diagrammatic Construction Theory and Polarizable Embedding
The Journal of Physical Chemistry A·2025
Algebraic Diagrammatic Construction Theory of Charged Excitations With Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation
arXiv (Cornell University)·2024Open Access
Simulating Ionized States in Realistic Chemical Environments With Algebraic Diagrammatic Construction Theory and Polarizable Embedding
arXiv (Cornell University)·2024Open Access
Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-ray Photoelectron Spectra
The Journal of Physical Chemistry A·2024· 7 cited
Consistent Second-Order Treatment of Spin–Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory
Journal of Chemical Theory and Computation·2024· 8 citedOpen Access
Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations
The Journal of Chemical Physics·2024· 5 citedOpen Access
Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-Ray Photoelectron Spectra
arXiv (Cornell University)·2024Open Access
Multireference Perturbation Theories Based on the Dyall Hamiltonian
arXiv (Cornell University)·2024· 2 citedOpen Access
NIR-II emissive donor–acceptor–donor fluorophores for dual fluorescence bioimaging and photothermal therapy applications
Journal of Materials Chemistry C·2024· 11 citedOpen Access
Simulating transient X-ray photoelectron spectra of Fe(CO)<sub>5</sub> and its photodissociation products with multireference algebraic diagrammatic construction theory
Physical Chemistry Chemical Physics·2024· 14 citedOpen Access
Multireference perturbation theories based on the Dyall Hamiltonian
Advances in quantum chemistry·2024· 6 cited
Two-State Hydrogen Atom Transfer Reactivity of Unsymmetric [Cu<sub>2</sub>(O)(NO)]<sup>2+</sup> Complexes
Journal of the American Chemical Society·2023· 5 cited
Core-Excited States and X-ray Absorption Spectra from Multireference Algebraic Diagrammatic Construction Theory
Journal of Chemical Theory and Computation·2023· 21 cited
Algebraic Diagrammatic Construction Theory for Simulating Charged Excited States and Photoelectron Spectra
Journal of Chemical Theory and Computation·2023· 17 cited
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Frequent Co-authors

Henry F. Schaefer(18), Andrew C. Simmonett(7), Justin M. Turney(6), L. V. Skripnikov(6), Samragni Banerjee(5), Robert M. Parrish(4), Lori A. Burns(4), Daniel G. A. Smith(4), A. Eugene DePrince(4), Edward G. Hohenstein(4), Uğur Bozkaya(4), Roberto Di Remigio(4), Andrew M. James(4), Ashutosh Kumar(4), Benjamin P. Pritchard(4), Konrad Patkowski(4), Rollin A. King(4), Francesco A. Evangelista(4), C. David Sherrill(4), Susi Lehtola(4)