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Alexander Yu. Sokolov

The Ohio State University

21H指数
85论文数
4.3K被引数
收录论文 40
发表时间
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Algebraic Diagrammatic Construction Theory of Charged Excitations with Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-20
err0
errOAAI
errMajumder, Rajat; Sokolov, Alexander Yu.
err分享
err收藏
Simulating Ionized States in Realistic Chemical Environments with Algebraic Diagrammatic Construction Theory and Polarizable Embedding使用代数图构造理论和可极化嵌入方法模拟真实化学环境中的电离态
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-01-16
err0
errOAAI
errSerna, James D.; Sokolov, Alexander Yu.
err分享
err收藏
Consistent Second-Order Treatment of Spin-Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-25
err1
errOAAI
errMajumder, Rajat; Sokolov, Alexander Yu
err分享
err收藏
Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-22
err2
errOAAI
errStahl, Terrence L.; Sokolov, Alexander Yu.
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err收藏
NIR-II emissive donor-acceptor-donor fluorophores for dual fluorescence bioimaging and photothermal therapy applications
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2024-01-01
err4
errOAAI
errSparks, Nicholas E.; Smith, Cameron; Stahl, Terrence; Amarasekara, Dhanush L.; Hamadani, Christine; Lambert, Ethan; Tang, Sheng Wei; Kulkarni, Anuja; Derbigny, Blaine M.; Dasanayake, Gaya S.; Taylor, George; Ghazala, Maryam; Hammer, Nathan I.; Sokolov, Alexander Y.; Fitzkee, Nicholas C.; Tanner, Eden E. L.; Watkins, Davita L.
err分享
err收藏
Two-State Hydrogen Atom Transfer Reactivity of Unsymmetric [Cu2(O)(NO)]2+ Complexes
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-08-04
err4
PREAI
errCarter, Samantha; Tao, Wenjie; Majumder, Rajat; Sokolov, Alexander Yu.; Zhang, Shiyu
err分享
err收藏
Core-Excited States and X-ray Absorption Spectra from Multireference Algebraic Diagrammatic Construction Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-07
err13
errOAAI
errMazin, Ilia M.; Sokolov, Alexander Yu.
err分享
err收藏
Algebraic Diagrammatic Construction Theory for Simulating Charged Excited States and Photoelectron Spectra
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-16
err10
errOAAI
errBanerjee, Samragni; Sokolov, Alexander Yu.
err分享
err收藏
Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green's function implementation (vol 151, 224112, 2019)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-07
err0
PREAI
errBanerjee, Samragni; Sokolov, Alexander Yu.
err分享
err收藏
C(sp3)-H cyanation by a formal copper(iii) cyanide complex
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err13
errOAAI
errBower, Jamey K. K.; Reese, Maxwell S. S.; Mazin, Ilia M. M.; Zarnitsa, Lina M. M.; Cypcar, Andrew D. D.; Moore, Curtis E. E.; Sokolov, Alexander Yu.; Zhang, Shiyu
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err收藏
Electrochemical Strategy for Proton Relay Installation Enhances the Activity of a Hydrogen Evolution Electrocatalyst
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-10-28
err19
PREAI
errLin, Shaoyang; Banerjee, Samragni; Fortunato, Matthew T.; Xue, Congcong; Huang, Jie; Turro, Claudia; Sokolov, Alexander Yu.
err分享
err收藏
Non-Dyson Algebraic Diagrammatic Construction Theory for Charged Excitations in Solids
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-17
err8
errOAAI
errBanerjee, Samragni; Sokolov, Alexander Yu.
err分享
err收藏
Multireference Algebraic Diagrammatic Construction Theory for Excited States: Extended Second-Order Implementation and Benchmark
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-23
err18
errOAAI
errMazin, Ilia M.; Sokolov, Alexander Yu
err分享
err收藏
Efficient implementation of the single-reference algebraic diagrammatic construction theory for charged excitations: Applications to the TEMPO radical and DNA base pairs
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-17
err24
errOAAI
errBanerjee, Samragni; Sokolov, Alexander Yu.
err分享
err收藏
Assessing the orbital-optimized unitary Ansatz for density cumulant theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-22
err2
errOAAI
errMisiewicz, Jonathon P.; Turney, Justin M.; Schaefer, Henry F.; Sokolov, Alexander Yu.
err分享
err收藏
Extended Second-Order Multireference Algebraic Diagrammatic Construction Theory for Charged Excitations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-09-02
err28
errOAAI
errChatterjee, Koushik; Sokolov, Alexander Yu.
err分享
err收藏
Recent developments in the PySCF program package
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-09
err482
errOAAI
errSun, Qiming; Zhang, Xing; Banerjee, Samragni; Bao, Peng; Barbry, Marc; Blunt, Nick S.; Bogdanov, Nikolay A.; Booth, George H.; Chen, Jia; Cui, Zhi-Hao; Eriksen, Janus Juul; Gao, Yang; Guo, Sheng; Hermann, Jan; Hermes, Matthew R.; Koh, Kevin; Koval, Peter; Lehtola, Susi; Li, Zhendong; Liu, Junzi; Mardirossian, Narbe; McClain, James D.; Motta, Mario; Mussard, Bastien; Pham, Hung Q.; Pulkin, Artem; Purwanto, Wirawan; Robinson, Paul J.; Ronca, Enrico; Sayfutyarova, Elvira; Scheurer, Maximilian; Schurkus, Henry F.; Smith, James E. T.; Sun, Chong; Sun, Shi-Ning; Upadhyay, Shiv; Wagner, Lucas K.; Wang, Xiao; White, Alec; Whitfield, James Daniel; Williamson, Mark J.; Wouters, Sebastian; Yang, Jun; Yu, Jason M.; Zhu, Tianyu; Berkelbach, Timothy C.; Sharma, Sandeep; Sokolov, Alexander; Chan, Garnet Kin-Lic
err分享
err收藏
PSI4 1.4: Open-source software for high-throughput quantum chemistryPSI4 1.4: 高通量量子化学的开源软件
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-13
err684
errOAAI
errSmith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M.; Lehtola, Susi; Misiewicz, Jonathon P.; Scheurer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer, Henry F., III; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene, III; Bozkaya, Ugur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
err分享
err收藏
Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green's function implementation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-12-12
err45
errOAAI
errBanerjee, Samragni; Sokolov, Alexander Yu
err分享
err收藏
Second-Order Multireference Algebraic Diagrammatic Construction Theory for Photoelectron Spectra of Strongly Correlated Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err25
errOAAI
errChatterjee, Koushik; Sokolov, Alexander Yu.
err分享
err收藏

研究方向

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合作学者
合作期刊
H
Henry F. Schaefer
H 指数: 128 · 论文数: 2.2K
P
Paul von Ragué Schleyer
H 指数: 120 · 论文数: 1.5K
C
C. David Sherrill
H 指数: 85 · 论文数: 286
W
Werner Kutzelnigg
H 指数: 77 · 论文数: 386
B
Bernard R. Brooks
H 指数: 76 · 论文数: 419
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