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Chemistry (Weinheim an Der Bergstrasse, Germany)
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December 24, 2019
Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka-Like Cluster [Sn@Cu<sub>12</sub> @Sn<sub>20</sub> ]<sup>12</sup>
Maksim Kulichenko, Nikita Fedik, Alexander Boldyrev, et al.
Chemical Communications (Cambridge, England)
|
February 6, 2020
Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon
Nikita Fedik, Maksim Kulichenko, Dmitriy Steglenko, et al.
Chemical Communications (Cambridge, England)
|
March 29, 2020
Correction: Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon
Nikita Fedik, Maksim Kulichenko, Dmitriy Steglenko, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 3, 2019
Inorganic Molecular Electride Mg<sub>4</sub> O<sub>3</sub> : Structure, Bonding, and Nonlinear Optical Properties
Maksim Kulichenko, Nikita Fedik, Konstatin V Bozhenko, et al.
The Journal of Physical Chemistry. B
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April 18, 2019
Hydrated Sulfate Clusters SO<sub>4</sub><sup>2-</sup>(H<sub>2</sub>O) <sub>n</sub> ( n = 1-40): Charge Distribution Through Solvation Shells and Stabilization
Maksim Kulichenko, Nikita Fedik, Konstantin V Bozhenko, et al.
The Journal of Physical Chemistry Letters
|
May 27, 2026
Enhancing Molecular Dipole Moment Prediction with Multitask Machine Learning
William Colglazier, Nicholas Lubbers, Sergei Tretiak, et al.
The Journal of Physical Chemistry Letters
|
February 19, 2026
High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units
Vishikh Athavale, Maksim Kulichenko, Sebastian Fernandez-Alberti, et al.
Journal of Chemical Theory and Computation
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September 25, 2025
PYSEQM 2.0: Accelerated Semiempirical Excited-State Calculations on Graphical Processing Units
Vishikh Athavale, Nikita Fedik, William Colglazier, et al.
The Journal of Chemical Physics
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January 27, 2026
Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry
Vishikh Athavale, Maksim Kulichenko, Nikita Fedik, et al.
Angewandte Chemie (International Ed. in English)
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April 26, 2019
High-Resolution Photoelectron Imaging of IrB<sub>3</sub> <sup>-</sup> : Observation of a π-Aromatic B<sub>3</sub> <sup>+</sup> Ring Coordinated to a Transition Metal
Joseph Czekner, Ling Fung Cheung, G Stephen Kocheril, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 24, 2019
Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka-Like Cluster [Sn@Cu<sub>12</sub> @Sn<sub>20</sub> ]<sup>12</sup>
Maksim Kulichenko, Nikita Fedik, Alexander Boldyrev, et al.
Chemical Communications (Cambridge, England)
|
February 6, 2020
Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon
Nikita Fedik, Maksim Kulichenko, Dmitriy Steglenko, et al.
Chemical Communications (Cambridge, England)
|
March 29, 2020
Correction: Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon
Nikita Fedik, Maksim Kulichenko, Dmitriy Steglenko, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 3, 2019
Inorganic Molecular Electride Mg<sub>4</sub> O<sub>3</sub> : Structure, Bonding, and Nonlinear Optical Properties
Maksim Kulichenko, Nikita Fedik, Konstatin V Bozhenko, et al.
The Journal of Physical Chemistry. B
|
April 18, 2019
Hydrated Sulfate Clusters SO<sub>4</sub><sup>2-</sup>(H<sub>2</sub>O) <sub>n</sub> ( n = 1-40): Charge Distribution Through Solvation Shells and Stabilization
Maksim Kulichenko, Nikita Fedik, Konstantin V Bozhenko, et al.
The Journal of Physical Chemistry Letters
|
May 27, 2026
Enhancing Molecular Dipole Moment Prediction with Multitask Machine Learning
William Colglazier, Nicholas Lubbers, Sergei Tretiak, et al.
The Journal of Physical Chemistry Letters
|
February 19, 2026
High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units
Vishikh Athavale, Maksim Kulichenko, Sebastian Fernandez-Alberti, et al.
Journal of Chemical Theory and Computation
|
September 25, 2025
PYSEQM 2.0: Accelerated Semiempirical Excited-State Calculations on Graphical Processing Units
Vishikh Athavale, Nikita Fedik, William Colglazier, et al.
The Journal of Chemical Physics
|
January 27, 2026
Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry
Vishikh Athavale, Maksim Kulichenko, Nikita Fedik, et al.
Angewandte Chemie (International Ed. in English)
|
April 26, 2019
High-Resolution Photoelectron Imaging of IrB<sub>3</sub> <sup>-</sup> : Observation of a π-Aromatic B<sub>3</sub> <sup>+</sup> Ring Coordinated to a Transition Metal
Joseph Czekner, Ling Fung Cheung, G Stephen Kocheril, et al.
Page
of 3