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Physical Chemistry Chemical Physics : PCCP
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May 26, 2016
Intermolecular electron transfer states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theory
Takao Otsuka, Masato Sumita, Hironori Izawa, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Redox Reaction Mechanisms with Non-triiodide Mediators in Dye-Sensitized Solar Cells by Redox Potential Calculations
Ryota Jono, Masato Sumita, Yoshitaka Tateyama, et al.
Journal of Chemical Information and Modeling
|
September 8, 2022
QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization
Masato Sumita, Kei Terayama, Ryo Tamura, et al.
Accounts of Chemical Research
|
February 26, 2021
Black-Box Optimization for Automated Discovery
Kei Terayama, Masato Sumita, Ryo Tamura, et al.
The Journal of Physical Chemistry. B
|
March 15, 2012
Calorimetric study of glass transition in molecular liquids consisting of globular associates: dicyclorohexylmethanol and tricyclohexylmethanol
Yasuhisa Yamamura, Yu-ta Suzuki, Masato Sumita, et al.
ACS Central Science
|
October 3, 2018
Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies
Masato Sumita, Xiufeng Yang, Shinsuke Ishihara, et al.
Journal of Chemical Information and Modeling
|
April 17, 2026
Defining a Chemical Space of π-Conjugated Hydrocarbons by Unit-Based Construction
Kensuke Suga, Hayato Takahashi, Kei Terayama, et al.
The Journal of Physical Chemistry. A
|
April 21, 2026
Computational Analysis of Structural and Photophysical Properties of a 1,8-Naphthalimide Derivative in Aqueous Solution
Natsumi Watanabe, Masato Sumita, Hironori Izawa, et al.
Journal of Chemical Theory and Computation
|
July 15, 2021
Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization
Kei Terayama, Masato Sumita, Michio Katouda, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2016
First-principles analysis on role of spinel (111) phase boundaries in Li4+3xTi5O12 Li-ion battery anodes
Yoshinori Tanaka, Minoru Ikeda, Masato Sumita, et al.
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Search research articles
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Showing results (11-20 of 46) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
May 26, 2016
Intermolecular electron transfer states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theory
Takao Otsuka, Masato Sumita, Hironori Izawa, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Redox Reaction Mechanisms with Non-triiodide Mediators in Dye-Sensitized Solar Cells by Redox Potential Calculations
Ryota Jono, Masato Sumita, Yoshitaka Tateyama, et al.
Journal of Chemical Information and Modeling
|
September 8, 2022
QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization
Masato Sumita, Kei Terayama, Ryo Tamura, et al.
Accounts of Chemical Research
|
February 26, 2021
Black-Box Optimization for Automated Discovery
Kei Terayama, Masato Sumita, Ryo Tamura, et al.
The Journal of Physical Chemistry. B
|
March 15, 2012
Calorimetric study of glass transition in molecular liquids consisting of globular associates: dicyclorohexylmethanol and tricyclohexylmethanol
Yasuhisa Yamamura, Yu-ta Suzuki, Masato Sumita, et al.
ACS Central Science
|
October 3, 2018
Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies
Masato Sumita, Xiufeng Yang, Shinsuke Ishihara, et al.
Journal of Chemical Information and Modeling
|
April 17, 2026
Defining a Chemical Space of π-Conjugated Hydrocarbons by Unit-Based Construction
Kensuke Suga, Hayato Takahashi, Kei Terayama, et al.
The Journal of Physical Chemistry. A
|
April 21, 2026
Computational Analysis of Structural and Photophysical Properties of a 1,8-Naphthalimide Derivative in Aqueous Solution
Natsumi Watanabe, Masato Sumita, Hironori Izawa, et al.
Journal of Chemical Theory and Computation
|
July 15, 2021
Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization
Kei Terayama, Masato Sumita, Michio Katouda, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2016
First-principles analysis on role of spinel (111) phase boundaries in Li4+3xTi5O12 Li-ion battery anodes
Yoshinori Tanaka, Minoru Ikeda, Masato Sumita, et al.
Page
of 5