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Nishimoto, Yoshio
148  Ergebnisse:
Personensuche X
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1

Analytic first-order derivatives of CASPT2 with IPEA shift:

Nishimoto, Yoshio
The Journal of Chemical Physics.  158 (2023)  17 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

Analytic First-Order Derivatives of (X)MS, XDW, and RMS Var..:

Nishimoto, Yoshio ; Battaglia, Stefano ; Lindh, Roland
Journal of Chemical Theory and Computation.  18 (2022)  7 - p. 4269-4281 , 2022
Link: https://doi.org/10.1021/..
 
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3

Multicolor polymeric carbon dots: synthesis, separation and..:

Zhi, Bo ; Yao, Xiaoxiao ; Wu, Meng...
Chemical Science.  12 (2021)  7 - p. 2441-2455 , 2021
Link: https://doi.org/10.1039/..
 
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4

The FMO-DFTB Method:

, In: Recent Advances of the Fragment Molecular Orbital Method,
Nishimoto, Yoshio ; Irle, Stephan - p. 459-485 , 2021
Link: https://doi.org/10.1007/..
 
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5

Analytic gradients for restricted active space second-order..:

Nishimoto, Yoshio
The Journal of Chemical Physics.  154 (2021)  19 - p. , 2021
Link: https://doi.org/10.1063/..
 
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6

The fragment molecular orbital method combined with density..:

Nishimoto, Yoshio ; Fedorov, Dmitri G.
The Journal of Chemical Physics.  154 (2021)  11 - p. , 2021
Link: https://doi.org/10.1063/..
 
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7

Locating conical intersections using the quasidegenerate pa..:

Nishimoto, Yoshio
Chemical Physics Letters.  744 (2020)  - p. 137219 , 2020
Link: https://doi.org/10.1016/..
 
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8

Analytic first-order derivatives of partially contracted n-..:

Nishimoto, Yoshio
The Journal of Chemical Physics.  151 (2019)  11 - p. , 2019
Link: https://doi.org/10.1063/..
 
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9

The Fragment Molecular Orbital Method Based on Long-Range C..:

Vuong, Van Quan ; Nishimoto, Yoshio ; Fedorov, Dmitri G....
Journal of Chemical Theory and Computation.  15 (2019)  5 - p. 3008-3020 , 2019
Link: https://doi.org/10.1021/..
 
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10

Time-Dependent Long-Range-Corrected Density-Functional Tigh..:

Nishimoto, Yoshio
The Journal of Physical Chemistry A.  123 (2019)  26 - p. 5649-5659 , 2019
Link: https://doi.org/10.1021/..
 
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11

Adaptive frozen orbital treatment for the fragment molecula..:

Nishimoto, Yoshio ; Fedorov, Dmitri G.
The Journal of Chemical Physics.  148 (2018)  6 - p. , 2018
Link: https://doi.org/10.1063/..
 
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12

Quantum chemical prediction of vibrational spectra of large..:

Nishimoto, Yoshio ; Irle, Stephan
Chemical Physics Letters.  667 (2017)  - p. 317-321 , 2017
Link: https://doi.org/10.1016/..
 
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13

Multiscale Simulations on Charge Transport in Covalent Orga..:

Kitoh-Nishioka, Hirotaka ; Welke, Kai ; Nishimoto, Yoshio..
The Journal of Physical Chemistry C.  121 (2017)  33 - p. 17712-17726 , 2017
Link: https://doi.org/10.1021/..
 
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14

Theoretical Elucidation of Potential Enantioselectivity in ..:

Nishimoto, Yoshio ; Kondo, Hiroki ; Yamaguchi, Kazuya...
The Journal of Organic Chemistry.  82 (2017)  9 - p. 4900-4906 , 2017
Link: https://doi.org/10.1021/..
 
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15

Analytic hyperpolarizability and polarizability derivative ..:

Nishimoto, Yoshio
The Journal of Chemical Physics.  146 (2017)  8 - p. , 2017
Link: https://doi.org/10.1063/..
 
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