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ACS Omega
|
August 4, 2020
Global Search for Crystal Structures of Carbon under High Pressure
Makito Takagi, Satoshi Maeda
The Journal of Chemical Physics
|
November 1, 2024
Efficient quantum mechanical minimum free energy path calculation by combining path integral hybrid Monte Carlo and climbing image nudged elastic band methods, and its application to the addition reaction of hydrogen isocyanide to formaldehyde
Aiko Io, Kimichi Suzuki, Makito Takagi, et al.
RSC Advances
|
May 6, 2022
Computational searches for crystal structures of dioxides of group 14 elements (CO<sub>2</sub>, SiO<sub>2</sub>, GeO<sub>2</sub>) under ultrahigh pressure
Hitoshi Nabata, Makito Takagi, Kenichiro Saita, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2025
Theoretical and machine learning models for reaction-barrier predictions: acrylate and methacrylate radical reactions
Makito Takagi, Tomomi Shimazaki, Osamu Kobayashi, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 7, 2019
Understanding CO oxidation on the Pt(111) surface based on a reaction route network
Kanami Sugiyama, Yosuke Sumiya, Makito Takagi, et al.
Chemical Record (New York, N.Y.)
|
June 4, 2016
Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces
Satoshi Maeda, Yu Harabuchi, Makito Takagi, et al.
The Journal of Physical Chemistry Letters
|
July 19, 2023
Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects
Takumi Naito, Makito Takagi, Masanori Tachikawa, et al.
The Journal of Chemical Physics
|
August 24, 2018
Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal
Kenichiro Saita, Makito Takagi, Yu Harabuchi, et al.
The Journal of Chemical Physics
|
September 9, 2025
Theoretical study of Lewis base passivation of p-type surface defects in I-Br mixed-halide tin perovskites
Emi Kino, Makito Takagi, Masanori Tachikawa, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 25, 2025
A theoretical study of the molecular passivation of p-/n-type defects on tin- and germanium-mixed perovskite surfaces using Lewis base/acid
Emi Kino, Makito Takagi, Takumi Naito, et al.
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Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
ACS Omega
|
August 4, 2020
Global Search for Crystal Structures of Carbon under High Pressure
Makito Takagi, Satoshi Maeda
The Journal of Chemical Physics
|
November 1, 2024
Efficient quantum mechanical minimum free energy path calculation by combining path integral hybrid Monte Carlo and climbing image nudged elastic band methods, and its application to the addition reaction of hydrogen isocyanide to formaldehyde
Aiko Io, Kimichi Suzuki, Makito Takagi, et al.
RSC Advances
|
May 6, 2022
Computational searches for crystal structures of dioxides of group 14 elements (CO<sub>2</sub>, SiO<sub>2</sub>, GeO<sub>2</sub>) under ultrahigh pressure
Hitoshi Nabata, Makito Takagi, Kenichiro Saita, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2025
Theoretical and machine learning models for reaction-barrier predictions: acrylate and methacrylate radical reactions
Makito Takagi, Tomomi Shimazaki, Osamu Kobayashi, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 7, 2019
Understanding CO oxidation on the Pt(111) surface based on a reaction route network
Kanami Sugiyama, Yosuke Sumiya, Makito Takagi, et al.
Chemical Record (New York, N.Y.)
|
June 4, 2016
Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces
Satoshi Maeda, Yu Harabuchi, Makito Takagi, et al.
The Journal of Physical Chemistry Letters
|
July 19, 2023
Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects
Takumi Naito, Makito Takagi, Masanori Tachikawa, et al.
The Journal of Chemical Physics
|
August 24, 2018
Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal
Kenichiro Saita, Makito Takagi, Yu Harabuchi, et al.
The Journal of Chemical Physics
|
September 9, 2025
Theoretical study of Lewis base passivation of p-type surface defects in I-Br mixed-halide tin perovskites
Emi Kino, Makito Takagi, Masanori Tachikawa, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 25, 2025
A theoretical study of the molecular passivation of p-/n-type defects on tin- and germanium-mixed perovskite surfaces using Lewis base/acid
Emi Kino, Makito Takagi, Takumi Naito, et al.
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of 2