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The Journal of Physical Chemistry Letters
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September 8, 2022
Exploration of Chemical Space for Designing Functional Molecules Accounting for Geometric Stability
Takafumi Shiraogawa, Jun-Ya Hasegawa
The Journal of Physical Chemistry. A
|
May 5, 2023
Optimization of General Molecular Properties in the Equilibrium Geometry Using Quantum Alchemy: An Inverse Molecular Design Approach
Takafumi Shiraogawa, Jun-Ya Hasegawa
The Journal of Chemical Physics
|
July 24, 2017
Selected configuration interaction method using sampled first-order corrections to wave functions
Yuhki Ohtsuka, Jun-Ya Hasegawa
Journal of the American Chemical Society
|
June 26, 2007
Red light in chemiluminescence and yellow-green light in bioluminescence: color-tuning mechanism of firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction method
Naoki Nakatani, Jun-Ya Hasegawa, Hiroshi Nakatsuji
Physical Chemistry Chemical Physics : PCCP
|
June 13, 2024
Characterization of changes in the electronic structure of platinum sub-nanoclusters supported on graphene induced by oxygen adsorption
Hinoki Hirase, Kenji Iida, Jun-Ya Hasegawa
Journal of Computational Chemistry
|
January 19, 2006
On the reversible O2 binding of the Fe-porphyrin complex
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
Polymers
|
April 16, 2020
Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler-Natta Catalyzed Propylene Polymerization
Manussada Ratanasak, Jun-Ya Hasegawa, Vudhichai Parasuk
Journal of Computational Chemistry
|
November 11, 2018
Constraint structure optimization to a specific minimum using ionization energy
Iori Harada, Akira Nakayama, Jun-Ya Hasegawa
Journal of Computational Chemistry
|
June 22, 2006
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
The Journal of Physical Chemistry. A
|
August 25, 2011
Bridge-mediated excitation energy transfer pathways through protein media: a Slater determinant-based electronic coupling calculation combined with localized molecular orbitals
Tsutomu Kawatsu, Kenji Matsuda, Jun-ya Hasegawa
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of 9
Search research articles
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Showing results (1-10 of 87) with videos related to
Sort By:
Page
of 9
The Journal of Physical Chemistry Letters
|
September 8, 2022
Exploration of Chemical Space for Designing Functional Molecules Accounting for Geometric Stability
Takafumi Shiraogawa, Jun-Ya Hasegawa
The Journal of Physical Chemistry. A
|
May 5, 2023
Optimization of General Molecular Properties in the Equilibrium Geometry Using Quantum Alchemy: An Inverse Molecular Design Approach
Takafumi Shiraogawa, Jun-Ya Hasegawa
The Journal of Chemical Physics
|
July 24, 2017
Selected configuration interaction method using sampled first-order corrections to wave functions
Yuhki Ohtsuka, Jun-Ya Hasegawa
Journal of the American Chemical Society
|
June 26, 2007
Red light in chemiluminescence and yellow-green light in bioluminescence: color-tuning mechanism of firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction method
Naoki Nakatani, Jun-Ya Hasegawa, Hiroshi Nakatsuji
Physical Chemistry Chemical Physics : PCCP
|
June 13, 2024
Characterization of changes in the electronic structure of platinum sub-nanoclusters supported on graphene induced by oxygen adsorption
Hinoki Hirase, Kenji Iida, Jun-Ya Hasegawa
Journal of Computational Chemistry
|
January 19, 2006
On the reversible O2 binding of the Fe-porphyrin complex
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
Polymers
|
April 16, 2020
Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler-Natta Catalyzed Propylene Polymerization
Manussada Ratanasak, Jun-Ya Hasegawa, Vudhichai Parasuk
Journal of Computational Chemistry
|
November 11, 2018
Constraint structure optimization to a specific minimum using ionization energy
Iori Harada, Akira Nakayama, Jun-Ya Hasegawa
Journal of Computational Chemistry
|
June 22, 2006
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
The Journal of Physical Chemistry. A
|
August 25, 2011
Bridge-mediated excitation energy transfer pathways through protein media: a Slater determinant-based electronic coupling calculation combined with localized molecular orbitals
Tsutomu Kawatsu, Kenji Matsuda, Jun-ya Hasegawa
Page
of 9