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2020 | 4 |
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Page 1
Reduced-Dimensionality Quantum Dynamics Study of the 3Fe(CO)4 + H2 1FeH2(CO)4 Spin-inversion Reaction.
Molecules. 2020 Feb 17;25(4):882. doi: 10.3390/molecules25040882.
Molecules. 2020.
PMID: 32079272
Free PMC article.
Spin-inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculations.
Saito K, Watabe Y, Fujihara T, Takayanagi T, Hasegawa JY.
Saito K, et al. Among authors: watabe y.
J Comput Chem. 2020 Apr 30;41(11):1130-1138. doi: 10.1002/jcc.26159. Epub 2020 Feb 5.
J Comput Chem. 2020.
PMID: 32020659
Free article.
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Spin-inversion mechanisms in O2 binding to a model heme compound: A perspective from nonadiabatic wave packet calculations.
Saito K, Watabe Y, Miyazaki T, Takayanagi T, Hasegawa JY.
Saito K, et al. Among authors: watabe y.
J Comput Chem. 2020 Nov;41(29):2527-2537. doi: 10.1002/jcc.26409. Epub 2020 Aug 25.
J Comput Chem. 2020.
PMID: 32841410
Free article.
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Theoretical Study on the Spectroscopic Observation of Intersystem Crossing between 3B1 and 1A1 States of GeH2 Using the GeH2- (2B1) Anion.
Watabe Y, Miyazaki T, Takayanagi T, Suzuki YI.
Watabe Y, et al.
J Phys Chem A. 2019 Jul 11;123(27):5734-5740. doi: 10.1021/acs.jpca.9b04548. Epub 2019 Jun 27.
J Phys Chem A. 2019.
PMID: 31194552
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Theoretical Analysis of the Formylmethylene Anion Photoelectron Spectrum: Importance of Wolff Rearrangement Dynamics.
Miyazaki T, Watabe Y, Hashimoto Y, Takahashi Y, Sugiura Y, Saito K, Takayanagi T.
Miyazaki T, et al. Among authors: watabe y.
J Phys Chem A. 2020 Nov 25;124(47):9721-9728. doi: 10.1021/acs.jpca.0c09067. Epub 2020 Nov 16.
J Phys Chem A. 2020.
PMID: 33196195
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