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Nikolay V. Tkachenko

university of oklahoma

22H-index
130Paper Count
1.6KCitation Count
Published Papers 40
Publication Date
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Microhydration and Interfacial Activity of Triarylmethane Dyes at the Air–Water Interface
errThe Journal of Physical Chemistry B
IF2.9
err2026-05-19
err0
errOAAI
errS. K. A. Ishini Madushika Sooriyabandara; Nikolay V. Tkachenko
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errSave
Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers
errChem. Sci.
IF7.4
err2025-11-06
err0
errOAAI
errNikolay V. Tkachenko; Hang Ren; Wendy M. Billings; Rebecca Tomann; Birgitta Whaley; Martin P. Head-Gordon
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errSave
Synthesis of an Oxo-Bridged Fe(III) Porphyrin(2.1.2.1) Dimer and Its Enhanced Electrocatalytic Oxygen Evolution
errINORGANIC CHEMISTRY
IF4.7
err2025-11-01
err0
PREAI
errWei, Yuexin; Zhou, Yuanbo; Zhang, Zuyu; Liu, Shihao; Ye, Tao; Zhao, Xiaohui; Wang, Yue; Feng, Ru; Sun, Zhongti; Tkachenko, Nikolay V.; Qiu, Fengxian; Yamada, Hiroko; Xue, Songlin
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Mechanistic Studies of Oxidative Degradation in Diamine-Appended Metal–Organic Frameworks Exhibiting Cooperative CO2 Capture
errJournal of the American Chemical Society
IF15.6
err2025-07-10
err0
errOAAI
errShuoyan Xiong; Alistair J. Sterling; Nikolay V. Tkachenko; Rhea-Donna Reyes; Hsinhan Tsai; Jaeheon Lee; Yu Chen; Yang Wang; Matthew N. Dods; David Lu; Ziting Zhu; Jonas Börgel; Jeong Won Kim; Abigail J. Schmeiser; Junyang Meng; Hiroyasu Furukawa; Aaron W. Peters; Bryan D. McCloskey; Jeffrey A. Reimer; Simon C. Weston; Martin Head-Gordon; Jeffrey R. Long
errShare
errSave
2D p-Block Main Group Phthalocyanine Monolayers
errAdvanced Energy Materials
IF26
err2025-06-12
err0
PREAI
errCui Wang; Nikolay V. Tkachenko; Bingyi Song; Li-Ming Yang
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errSave
An ab-initio study of two-dimensional MSeO3 (M = Ru, Rh, Pd and Pt) with high Neel-temperature intrinsic antiferromagnetism, negative Poisson's ratio and photocatalytic properties
errINTERNATIONAL JOURNAL OF HYDROGEN ENERGY
IF8.3
err2025-04-01
err0
PREAI
errLong, De-Bing; Sun, Yuanke; Wang, Xiaolin; You, Chaosheng; Zou, Ranfeng; Yin, Teng; Chen, Yingying; Tkachenko, Nikolay V.; Head-Gordon, Martin; Peng, Shan
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errSave
Computational Optimization of Room Temperature Usable Capacity for Hydrogen Storage in MFU-4-Type Metal-Organic Frameworks via Pairwise Metal Substitutions
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-12-30
err0
PREAI
errTkachenko, Nikolay V.; Yabuuchi, Yuto; Carsch, Kurtis M.; Furukawa, Hiroyasu; Long, Jeffrey R.; Head-Gordon, Martin
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errSave
Smoother Semiclassical Dispersion for Density Functional Theory via D3S: Understanding and Addressing Unphysical Minima in the D3 Dispersion Correction Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-15
err0
PREAI
errTkachenko, Nikolay V.; Head-Gordon, Martin
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errSave
Geometric Tuning of Coordinatively Unsaturated Copper(I) Sites in Metal-Organic Frameworks for Ambient-Temperature Hydrogen Storage
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-08-02
err3
errOAAI
errYabuuchi, Yuto; Furukawa, Hiroyasu; Carsch, Kurtis M.; Klein, Ryan A.; Tkachenko, Nikolay V.; Huang, Adrian J.; Cheng, Yongqiang; Taddei, Keith M.; Novak, Eric; Brown, Craig M.; Head-Gordon, Martin; Long, Jeffrey R.
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errSave
Conical Intersections at Interfaces Revealed by Phase-Cycling Interface-Specific Two-Dimensional Electronic Spectroscopy (i2D-ES)
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-07-22
err2
PREAI
errHuang-Fu, Zhi-Chao; Tkachenko, Nikolay V.; Qian, Yuqin; Zhang, Tong; Brown, Jesse B.; Harutyunyan, Avetik; Chen, Gugang; Rao, Yi
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errSave
Conflicting Aromaticity in Trirhodium(I) Rosarin
errINORGANIC CHEMISTRY
IF4.7
err2024-06-05
err1
PREAI
errXue, Songlin; Tkachenko, Nikolay V.; Wu, Fan; Lv, Xiaojuan; Liu, Ningchao; Munoz-Castro, Alvaro; Ueno, So; Matsuo, Kyohei; Kuzuhara, Daiki; Aratani, Naoki; Shen, Zhen; Yamada, Hiroko; Boldyrev, Alexander I.; Qiu, Fengxian
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errSave
Quantum Davidson algorithm for excited states
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2024-04-22
err1
errOAAI
errTkachenko, Nikolay, V; Cincio, Lukasz; Boldyrev, Alexander, I; Tretiak, Sergei; Dub, Pavel A.; Zhang, Yu
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errSave
Two-dimensional Bimetal-Embedded Expanded Phthalocyanine Monolayers: A Class of Multifunctional Materials with Fascinating Properties
errADVANCED FUNCTIONAL MATERIALS
IF19
err2024-02-05
err3
errOAAI
errLong, De-Bing; Tkachenko, Nikolay V.; Feng, Qingqing; Li, Xingxing; Boldyrev, Alexander I.; Yang, Jinlong; Yang, Li-Ming
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errSave
Copper complexation of rosarin: formation of bis-copper rosarin and mono-copper linear tridipyrrin complexes
errDALTON TRANSACTIONS
IF3.3
err2024-01-01
err0
PREAI
errLv, Xiaojuan; Qian, Long; Tkachenko, Nikolay V.; Zhang, Tao; Qiu, Fengxian; Aratani, Naoki; Ikeue, Takahisa; Pan, Jianming; Xue, Songlin
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errSave
Tinning the carbon: hydrostannanes strike back
errDALTON TRANSACTIONS
IF3.3
err2023-01-01
err2
PREAI
errRublev, Pavel; Tkachenko, Nikolay V.; Pozdeev, Anton S.; Boldyrev, Alexander I.
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errSave
The Source of Proton in the Noyori-Ikariya Catalytic Cycle
errACS CATALYSIS
IF13.1
err2022-10-13
err9
PREAI
errTkachenko, Nikolay V.; Rublev, Pavel; Dub, Pavel A.
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errSave
Ultralight supertetrahedral aluminum: Stability at various temperatures
errMRS BULLETIN
IF4.9
err2022-09-19
err0
PREAI
errGetmanskii, Iliya, V; Koval, Vitaliy V.; Tkachenko, Nikolay, V; Zaitsev, Stanislav A.; Boldyrev, Alexander, I; Minyaev, Ruslan M.
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errSave
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-04-22
err9
PREAI
errYokelson, Dewi; Tkachenko, Nikolay, V; Robey, Robert; Li, Ying Wai; Dub, Pavel A.
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errSave
Symmetry collapse due to the presence of multiple local aromaticity in Ge244-
errNATURE COMMUNICATIONS
IF15.7
err2022-04-20
err19
errOAAI
errXu, Hong-Lei; Tkachenko, Nikolay, V; Szczepanik, Dariusz W.; Popov, Ivan A.; Munoz-Castro, Alvaro; Boldyrev, Alexander, I; Sun, Zhong-Ming
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Superalkali Coated Rydberg Molecules
errFRONTIERS IN CHEMISTRY
IF4.2
err2022-04-13
err1
errOAAI
errTkachenko, Nikolay V.; Rublev, Pavel; Boldyrev, Alexander I.; Lehn, Jean-Marie
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errSave

Research Directions

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Co-authors
Cooperation Journals
J
Jeffrey R. Long
H-index: 148 · Papers: 1.1K
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
H
Henry F. Schaefer
H-index: 128 · Papers: 2.2K
杨
杨金龙 (Jinlong Yang)
H-index: 119 · Papers: 1.2K
S
Sergei Tretiak
H-index: 88 · Papers: 737
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