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The Journal of Chemical Physics
|
July 16, 2025
Construction of strongly orthogonal geminals and group functions with general spinorbitals
Kaho Nakatani, Naoki Nakatani
Journal of Computational Chemistry
|
July 17, 2024
Theoretical study on the carbon nanomaterial-supported Pt complex electrocatalysts for efficient and selective chlorine evolution reaction
Jewel Hossen, Naoki Nakatani
Journal of Computational Chemistry
|
October 24, 2018
Can large active-space CASSCF calculation make sense to the reaction analysis of iron complex? A benchmark study of methane oxidation reaction by FeO<sup></sup>
Naoki Nakatani, Masahiko Hada
Dalton Transactions (Cambridge, England : 2003)
|
May 21, 2020
Solution XANES and EXAFS analysis of active species of titanium, vanadium complex catalysts in ethylene polymerisation/dimerisation and syndiospecific styrene polymerisation
Jun Yi, Naoki Nakatani, Kotohiro Nomura
The Journal of Chemical Physics
|
December 4, 2025
Multi-reference perturbation theories based on the DOCI wavefunction
Yutaro Otani, Kaho Nakatani, Naoki Nakatani
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2023
How does multi-reference computation change the catalysis chemistry? DFT and CASPT2 studies of the Cu-catalysed coupling reactions between aryl iodides and β-diketones
Nan He, Naoki Nakatani, Masahiko Hada
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2019
How to understand very weak Cr-Cr double bonds and negative spin populations in trinuclear Cr complexes: theoretical insight
Masayuki Nakagaki, Naoki Nakatani, Shigeyoshi Sakaki
The Journal of Physical Chemistry. B
|
April 6, 2011
Multistate CASPT2 study of native iron(III)-dependent catechol dioxygenase and its functional models: electronic structure and ligand-to-metal charge-transfer excitation
Naoki Nakatani, Yutaka Hitomi, Shigeyoshi Sakaki
The Journal of Chemical Physics
|
April 12, 2013
Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm
Naoki Nakatani, Garnet Kin-Lic Chan
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 4, 2022
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo-Manganese(V) Porphyrin Complexes
Zhifeng Ma, Naoki Nakatani, Masahiko Hada
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of 5
Search research articles
Search
Showing results (1-10 of 42) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
July 16, 2025
Construction of strongly orthogonal geminals and group functions with general spinorbitals
Kaho Nakatani, Naoki Nakatani
Journal of Computational Chemistry
|
July 17, 2024
Theoretical study on the carbon nanomaterial-supported Pt complex electrocatalysts for efficient and selective chlorine evolution reaction
Jewel Hossen, Naoki Nakatani
Journal of Computational Chemistry
|
October 24, 2018
Can large active-space CASSCF calculation make sense to the reaction analysis of iron complex? A benchmark study of methane oxidation reaction by FeO<sup></sup>
Naoki Nakatani, Masahiko Hada
Dalton Transactions (Cambridge, England : 2003)
|
May 21, 2020
Solution XANES and EXAFS analysis of active species of titanium, vanadium complex catalysts in ethylene polymerisation/dimerisation and syndiospecific styrene polymerisation
Jun Yi, Naoki Nakatani, Kotohiro Nomura
The Journal of Chemical Physics
|
December 4, 2025
Multi-reference perturbation theories based on the DOCI wavefunction
Yutaro Otani, Kaho Nakatani, Naoki Nakatani
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2023
How does multi-reference computation change the catalysis chemistry? DFT and CASPT2 studies of the Cu-catalysed coupling reactions between aryl iodides and β-diketones
Nan He, Naoki Nakatani, Masahiko Hada
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2019
How to understand very weak Cr-Cr double bonds and negative spin populations in trinuclear Cr complexes: theoretical insight
Masayuki Nakagaki, Naoki Nakatani, Shigeyoshi Sakaki
The Journal of Physical Chemistry. B
|
April 6, 2011
Multistate CASPT2 study of native iron(III)-dependent catechol dioxygenase and its functional models: electronic structure and ligand-to-metal charge-transfer excitation
Naoki Nakatani, Yutaka Hitomi, Shigeyoshi Sakaki
The Journal of Chemical Physics
|
April 12, 2013
Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm
Naoki Nakatani, Garnet Kin-Lic Chan
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 4, 2022
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo-Manganese(V) Porphyrin Complexes
Zhifeng Ma, Naoki Nakatani, Masahiko Hada
Page
of 5