All papers authored by Alexander Sokolov
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2023
Samantha Carter,
Wenjie Tao 
,
Rajat Majumder,
Alexander Y.-U. Sokolov ,
Shiyu Zhang
,
Rajat Majumder,
Alexander Y.-U. Sokolov ,
Shiyu Zhang
Two-State Hydrogen Atom Transfer Reactivity of Unsymmetric [Cu2(O)(NO)]2+ Complexes
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Jamey K. Bower,
Maxwell S. Reese,
Ilia M. Mazin ,
Lina M. Zarnitsa,
Andrew D. Cypcar,
Curtis E. Moore,
Alexander Y.-U. Sokolov ,
Shiyu Zhang
,
Lina M. Zarnitsa,
Andrew D. Cypcar,
Curtis E. Moore,
Alexander Y.-U. Sokolov ,
Shiyu Zhang
C(sp3)–H cyanation by a formal copper(iii) cyanide complex
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2020
Jonathon P. Misiewicz,
Justin M. Turney ,
Henry F. Schaefer ,
Alexander Y.-U. Sokolov
,
Henry F. Schaefer ,
Alexander Y.-U. Sokolov
Assessing the orbital-optimized unitary Ansatz for density cumulant theory
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Qiming Sun ,
Xing Zhang ,
Samragni Banerjee,
Peng Bao,
Marc Barbry ,
Nick S. Blunt ,
Nikolay A. Bogdanov,
George H. Booth ,
Jia Chen ,
Zhi-Hao Cui ,
Janus J. Eriksen ,
Yang Gao ,
Sheng Guo ,
Jan Hermann ,
Matthew R. Hermes
and 34 other authors
,
Xing Zhang ,
Samragni Banerjee,
Peng Bao,
Marc Barbry ,
Nick S. Blunt ,
Nikolay A. Bogdanov,
George H. Booth ,
Jia Chen ,
Zhi-Hao Cui ,
Janus J. Eriksen ,
Yang Gao ,
Sheng Guo ,
Jan Hermann ,
Matthew R. Hermes
and 34 other authors
Recent developments in the PySCF program package
Download from aip.scitation.org
Daniel G. A. Smith ,
Lori A. Burns ,
Andrew C. Simmonett ,
Robert M. Parrish ,
Matthew C. Schieber,
Raimondas Galvelis ,
Peter Kraus ,
Holger Kruse ,
Roberto Di Remigio ,
R. D. Remigio,
Asem Alenaizan ,
Andrew M. James ,
Susi Lehtola ,
Jonathon P. Misiewicz,
Maximilian Scheurer
and 22 other authors
,
Lori A. Burns ,
Andrew C. Simmonett ,
Robert M. Parrish ,
Matthew C. Schieber,
Raimondas Galvelis ,
Peter Kraus ,
Holger Kruse ,
Roberto Di Remigio ,
R. D. Remigio,
Asem Alenaizan ,
Andrew M. James ,
Susi Lehtola ,
Jonathon P. Misiewicz,
Maximilian Scheurer
and 22 other authors
Psi4 1.4: Open-source software for high-throughput quantum chemistry
Download from aip.scitation.org
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