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1 . Academic Journal
Locating conical intersections using the quasidegenerate partially and strongly contracted NEVPT2 methods
저자
by
Nishimoto, Yoshio
.
소스
In
Chemical Physics Letters
April 2020 744
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3 . Academic Journal
Analytic first-order derivatives of CASPT2 with IPEA shift.
저자
by
Nishimoto, Yoshio
.
소스
Journal of Chemical Physics
. May2023, Vol. 158 Issue 17, p1-18. 18p.
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3 . Periodical
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
저자
by
Li Manni, Giovanni
;
Fdez. Galván, Ignacio
;
Alavi, Ali
;
Aleotti, Flavia
;
Aquilante, Francesco
, et al.
소스
Journal of Chemical Theory and Computation; October 2023, Vol. 19 Issue: 20 p6933-6991, 59p
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7 . Academic Journal
Analytic gradients for restricted active space second-order perturbation theory (RASPT2).
저자
by
Nishimoto, Yoshio
.
소스
Journal of Chemical Physics
. 5/21/2021, Vol. 154 Issue 19, p1-8. 8p.
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3 . Academic Journal
The fragment molecular orbital method combined with density-functional tight-binding and periodic boundary conditions.
저자
by
Nishimoto, Yoshio
;
Fedorov, Dmitri G.
.
소스
Journal of Chemical Physics
. 3/21/2021, Vol. 154 Issue 11, p1-7. 7p.
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4 . Academic Journal
Analytic first-order derivatives of partially contracted n-electron valence state second-order perturbation theory (PC-NEVPT2).
저자
by
Nishimoto, Yoshio
.
소스
Journal of Chemical Physics
. 9/21/2019, Vol. 151 Issue 11, pN.PAG-N.PAG. 20p. 5 Charts.
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3 . Academic Journal
Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods.
저자
by
Nishimoto, Yoshio
;
Battaglia, Stefano
;
Lindh, Roland
.
소스
Journal of Chemical Theory & Computation; 7/12/2022, Vol. 18 Issue 7, p4269-4281, 13p
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5 . Academic Journal
Multicolor polymeric carbon dots: synthesis, separation and polyamide-supported molecular fluorescence.
저자
by
Zhi, Bo
;
Yao, Xiaoxiao
;
Wu, Meng
;
Mensch, Arielle
;
Cui, Yi
, et al.
소스
Chemical Science; 2/21/2021, Vol. 12 Issue 7, p2441-2455, 15p
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7 . Periodical
Time-Dependent Long-Range-Corrected Density-Functional Tight-Binding Method Combined with the Polarizable Continuum Model
저자
by
Nishimoto, Yoshio
.
소스
The Journal of Physical Chemistry - Part A; July 2019, Vol. 123 Issue: 26 p5649-5659, 11p
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3 . Academic Journal
The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding.
저자
by
Vuong, Van Quan
;
Nishimoto, Yoshio
;
Fedorov, Dmitri G.
;
Sumpter, Bobby G.
;
Niehaus, Thomas A.
, et al.
소스
Journal of Chemical Theory & Computation; May2019, Vol. 15 Issue 5, p3008-3020, 13p
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