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Physical Chemistry Chemical Physics : PCCP
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May 10, 2023
On the existence of CO<sub>3</sub><sup>2-</sup> microsolvated clusters: a theoretical study
Pavel Rublev, Nikolay V Tkachenko, Pavel A Dub, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 24, 2022
Tinning the carbon: hydrostannanes strike back
Pavel Rublev, Nikolay V Tkachenko, Anton S Pozdeev, et al.
The Journal of Physical Chemistry Letters
|
October 15, 2024
Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model
Nikolay V Tkachenko, Linus Bjarne Dittmer, Rebecca Tomann, et al.
Frontiers in Chemistry
|
May 2, 2022
Superalkali Coated Rydberg Molecules
Nikolay V Tkachenko, Pavel Rublev, Alexander I Boldyrev, et al.
The Journal of Physical Chemistry. A
|
September 30, 2021
DFT Study of Microsolvated [NO<sub>3</sub>·(H<sub>2</sub>O)<i></i>]<sup>-</sup> (<i>n</i> = 1-12) Clusters and Molecular Dynamics Simulation of Nitrate Solution
Nikolay V Tkachenko, Anastasiia A Tkachenko, Vladimir A Kulyukin, et al.
ACS Applied Materials & Interfaces
|
January 6, 2026
Electrolyte-Dependent, "Microscopically Irreversible" H-Atom Transfer Kinetics of Ce-Based Metal-Organic Framework, Ce-MOF-808
Miguel A Liuzzi-Vaamonde, Zaheer Masood, Bin Wang, et al.
Journal of Chemical Information and Modeling
|
April 22, 2022
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs
Dewi Yokelson, Nikolay V Tkachenko, Robert Robey, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2023
Neural network atomistic potentials for global energy minima search in carbon clusters
Nikolay V Tkachenko, Anastasiia A Tkachenko, Benjamin Nebgen, et al.
Journal of Computational Chemistry
|
March 17, 2020
Stability, electronic, and optical properties of two-dimensional phosphoborane
Dmitriy V Steglenko, Nikolay V Tkachenko, Alexander I Boldyrev, et al.
Angewandte Chemie (International Ed. in English)
|
August 17, 2021
Corrigendum: [Sn<sub>8</sub> ]<sup>6-</sup> -Bridged Mixed-Valence Zn<sup>I</sup> /Zn<sup>II</sup> in {[K<sub>2</sub> ZnSn<sub>8</sub> (ZnMes)]<sub>2</sub> }<sup>4-</sup> Inverse Sandwich-Type Cluster Supported by a Zn<sup>I</sup> -Zn<sup>I</sup> Bond
Hong-Lei Xu, Nikolay V Tkachenko, Alvaro Muñoz-Castro, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 41) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
May 10, 2023
On the existence of CO<sub>3</sub><sup>2-</sup> microsolvated clusters: a theoretical study
Pavel Rublev, Nikolay V Tkachenko, Pavel A Dub, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 24, 2022
Tinning the carbon: hydrostannanes strike back
Pavel Rublev, Nikolay V Tkachenko, Anton S Pozdeev, et al.
The Journal of Physical Chemistry Letters
|
October 15, 2024
Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model
Nikolay V Tkachenko, Linus Bjarne Dittmer, Rebecca Tomann, et al.
Frontiers in Chemistry
|
May 2, 2022
Superalkali Coated Rydberg Molecules
Nikolay V Tkachenko, Pavel Rublev, Alexander I Boldyrev, et al.
The Journal of Physical Chemistry. A
|
September 30, 2021
DFT Study of Microsolvated [NO<sub>3</sub>·(H<sub>2</sub>O)<i></i>]<sup>-</sup> (<i>n</i> = 1-12) Clusters and Molecular Dynamics Simulation of Nitrate Solution
Nikolay V Tkachenko, Anastasiia A Tkachenko, Vladimir A Kulyukin, et al.
ACS Applied Materials & Interfaces
|
January 6, 2026
Electrolyte-Dependent, "Microscopically Irreversible" H-Atom Transfer Kinetics of Ce-Based Metal-Organic Framework, Ce-MOF-808
Miguel A Liuzzi-Vaamonde, Zaheer Masood, Bin Wang, et al.
Journal of Chemical Information and Modeling
|
April 22, 2022
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs
Dewi Yokelson, Nikolay V Tkachenko, Robert Robey, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2023
Neural network atomistic potentials for global energy minima search in carbon clusters
Nikolay V Tkachenko, Anastasiia A Tkachenko, Benjamin Nebgen, et al.
Journal of Computational Chemistry
|
March 17, 2020
Stability, electronic, and optical properties of two-dimensional phosphoborane
Dmitriy V Steglenko, Nikolay V Tkachenko, Alexander I Boldyrev, et al.
Angewandte Chemie (International Ed. in English)
|
August 17, 2021
Corrigendum: [Sn<sub>8</sub> ]<sup>6-</sup> -Bridged Mixed-Valence Zn<sup>I</sup> /Zn<sup>II</sup> in {[K<sub>2</sub> ZnSn<sub>8</sub> (ZnMes)]<sub>2</sub> }<sup>4-</sup> Inverse Sandwich-Type Cluster Supported by a Zn<sup>I</sup> -Zn<sup>I</sup> Bond
Hong-Lei Xu, Nikolay V Tkachenko, Alvaro Muñoz-Castro, et al.
Page
of 5