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Journal of Computational Chemistry
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June 9, 2022
Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gas-phase structures of organic molecules
Nikolai Andreadi, Dmitry Zankov, Kirill Karpov, et al.
The Journal of Chemical Physics
|
October 31, 2021
A search for a DFT functional for actinide compounds
Artem Mitrofanov, Nikolai Andreadi, Vadim Korolev, et al.
Inorganic Chemistry
|
September 3, 2020
Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds
Nikolai Andreadi, Artem Mitrofanov, Petr Matveev, et al.
The Journal of Physical Chemistry. A
|
March 3, 2020
Simple Automatized Tool for Exchange-Correlation Functional Fitting
Artem Mitrofanov, Vadim Korolev, Nikolai Andreadi, et al.
Journal of Computational Chemistry
|
March 5, 2021
PyRad: A software shell for simulating radiolysis with Qball package
Nikolai Andreadi, Artem Mitrofanov, Artem Eliseev, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
June 9, 2022
Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gas-phase structures of organic molecules
Nikolai Andreadi, Dmitry Zankov, Kirill Karpov, et al.
The Journal of Chemical Physics
|
October 31, 2021
A search for a DFT functional for actinide compounds
Artem Mitrofanov, Nikolai Andreadi, Vadim Korolev, et al.
Inorganic Chemistry
|
September 3, 2020
Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds
Nikolai Andreadi, Artem Mitrofanov, Petr Matveev, et al.
The Journal of Physical Chemistry. A
|
March 3, 2020
Simple Automatized Tool for Exchange-Correlation Functional Fitting
Artem Mitrofanov, Vadim Korolev, Nikolai Andreadi, et al.
Journal of Computational Chemistry
|
March 5, 2021
PyRad: A software shell for simulating radiolysis with Qball package
Nikolai Andreadi, Artem Mitrofanov, Artem Eliseev, et al.
Page
of 1