Quantum-Chemical Modeling of the Mass-analyzed Threshold Ionization Spectra of Ferrocene and Cobaltocene
Publication type: Journal Article
Publication date: 2020-11-20
scimago Q4
wos Q4
SJR: 0.178
CiteScore: 0.9
Impact factor: 0.6
ISSN: 00181439, 16083148
Physical and Theoretical Chemistry
Abstract
The vibronic structures of the mass-selective threshold ionization spectra of ferrocene and cobaltocene are simulated within the framework of the density functional theory. Using (C5H5)2Co as an example, it is shown that the proposed levels of theory reproduce well the peak positions and relative intensities in the experimental high-resolution spectrum. This makes it possible to predict accurately changes in the molecular structure and vibrational frequencies on the ionization of metallocenes in the gas phase.
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Total citations:
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Citations from 2025:
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(25%)
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Ketkov S. Yu. et al. Quantum-Chemical Modeling of the Mass-analyzed Threshold Ionization Spectra of Ferrocene and Cobaltocene // High Energy Chemistry. 2020. Vol. 54. No. 6. pp. 414-420.
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Ketkov S. Yu., Rychagova E. A., Zhigulin G. Yu., Tzeng S. Y., Tzeng W. B. Quantum-Chemical Modeling of the Mass-analyzed Threshold Ionization Spectra of Ferrocene and Cobaltocene // High Energy Chemistry. 2020. Vol. 54. No. 6. pp. 414-420.
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RIS
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TY - JOUR
DO - 10.1134/s0018143920060077
UR - https://doi.org/10.1134/s0018143920060077
TI - Quantum-Chemical Modeling of the Mass-analyzed Threshold Ionization Spectra of Ferrocene and Cobaltocene
T2 - High Energy Chemistry
AU - Ketkov, S Yu
AU - Rychagova, E A
AU - Zhigulin, G Yu
AU - Tzeng, S Y
AU - Tzeng, W B
PY - 2020
DA - 2020/11/20
PB - Pleiades Publishing
SP - 414-420
IS - 6
VL - 54
SN - 0018-1439
SN - 1608-3148
ER -
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BibTex (up to 50 authors)
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@article{2020_Ketkov,
author = {S Yu Ketkov and E A Rychagova and G Yu Zhigulin and S Y Tzeng and W B Tzeng},
title = {Quantum-Chemical Modeling of the Mass-analyzed Threshold Ionization Spectra of Ferrocene and Cobaltocene},
journal = {High Energy Chemistry},
year = {2020},
volume = {54},
publisher = {Pleiades Publishing},
month = {nov},
url = {https://doi.org/10.1134/s0018143920060077},
number = {6},
pages = {414--420},
doi = {10.1134/s0018143920060077}
}
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MLA
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Ketkov, S. Yu., et al. “Quantum-Chemical Modeling of the Mass-analyzed Threshold Ionization Spectra of Ferrocene and Cobaltocene.” High Energy Chemistry, vol. 54, no. 6, Nov. 2020, pp. 414-420. https://doi.org/10.1134/s0018143920060077.
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