Inorganic Chemistry, volume 59, issue 18, pages 13383-13389
Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds
Publication type: Journal Article
Publication date: 2020-09-02
Journal:
Inorganic Chemistry
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 4.6
ISSN: 00201669, 1520510X
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Actinide chemistry appears to be a challenge for both experimentalists and theoreticians. Radioactivity and computational obstacles lead to a lack of heterogeneous data describing actinide compounds. Here we present a description of the first database devoted to ab initio actinide calculations. The database contains information about the structures and electronic properties of 87 actinide and 17 other compounds in the gas phase and is ready-to-use for benchmarking computational and experimental results or building new semiempirical models.
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1
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Journal of Chemical Physics
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1 publication, 14.29%
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Journal of Physical Chemistry Letters
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1 publication, 14.29%
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1 publication, 14.29%
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Journal of Molecular Liquids
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1 publication, 14.29%
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1
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Citations by publishers
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1
2
3
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Elsevier
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Elsevier
3 publications, 42.86%
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American Chemical Society (ACS)
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American Chemical Society (ACS)
2 publications, 28.57%
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American Institute of Physics (AIP)
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American Institute of Physics (AIP)
1 publication, 14.29%
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1
2
3
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Andreadi N. et al. Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds // Inorganic Chemistry. 2020. Vol. 59. No. 18. pp. 13383-13389.
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Andreadi N., Mitrofanov A., Matveev P. I., Volkova A., Kalmykov S. N. Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds // Inorganic Chemistry. 2020. Vol. 59. No. 18. pp. 13383-13389.
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TY - JOUR
DO - 10.1021/acs.inorgchem.0c01746
UR - https://doi.org/10.1021%2Facs.inorgchem.0c01746
TI - Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds
T2 - Inorganic Chemistry
AU - Volkova, Anna
AU - Andreadi, Nikolai
AU - Mitrofanov, Artem
AU - Matveev, Petr I
AU - Kalmykov, Stepan N.
PY - 2020
DA - 2020/09/02 00:00:00
PB - American Chemical Society (ACS)
SP - 13383-13389
IS - 18
VL - 59
SN - 0020-1669
SN - 1520-510X
ER -
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@article{2020_Andreadi,
author = {Anna Volkova and Nikolai Andreadi and Artem Mitrofanov and Petr I Matveev and Stepan N. Kalmykov},
title = {Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds},
journal = {Inorganic Chemistry},
year = {2020},
volume = {59},
publisher = {American Chemical Society (ACS)},
month = {sep},
url = {https://doi.org/10.1021%2Facs.inorgchem.0c01746},
number = {18},
pages = {13383--13389},
doi = {10.1021/acs.inorgchem.0c01746}
}
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MLA
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Andreadi, Nikolai, et al. “Heavy-Element Reactions Database (HERDB): Relativistic ab Initio Geometries and Energies for Actinide Compounds.” Inorganic Chemistry, vol. 59, no. 18, Sep. 2020, pp. 13383-13389. https://doi.org/10.1021%2Facs.inorgchem.0c01746.