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ACS Omega
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December 23, 2024
Theoretical Insights into High-<i>T</i> <sub>c</sub> Superconductivity of Structurally Ordered YThH<sub>18</sub>: A First-Principles Study
Abdul Ghaffar, Peng Song, Ryo Maezono, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 19, 2019
A new ab initio modeling scheme for the ion self-diffusion coefficient applied to the ε-Cu<sub>3</sub>Sn phase of the Cu-Sn alloy
Tom Ichibha, Genki Prayogo, Kenta Hongo, et al.
The Journal of Chemical Physics
|
November 2, 2010
Unified interpretation of Hund's first and second rules for 2p and 3p atoms
Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe, et al.
Journal of Chemical Theory and Computation
|
April 4, 2023
Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power <i>Ansatz</i>
Abhishek Raghav, Ryo Maezono, Kenta Hongo, et al.
Journal of Computer-Aided Molecular Design
|
March 11, 2017
Bayesian molecular design with a chemical language model
Hisaki Ikebata, Kenta Hongo, Tetsu Isomura, et al.
The Journal of Physical Chemistry. A
|
September 13, 2019
Method for the Calculation of the Hamaker Constants of Organic Materials by the Lifshitz Macroscopic Approach with Density Functional Theory
Hideyuki Takagishi, Takashi Masuda, Tatsuya Shimoda, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
September 12, 2023
Stiffer Bonding of Armchair Edge in Single-Layer Molybdenum Disulfide Nanoribbons
Chunmeng Liu, Kenta Hongo, Ryo Maezono, et al.
ACS Applied Materials & Interfaces
|
May 16, 2022
Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials
Yuki Yoshimoto, Takahiro Toma, Kenta Hongo, et al.
ACS Omega
|
October 4, 2021
Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo
Genki I Prayogo, Hyeondeok Shin, Anouar Benali, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited
Kenta Hongo, Mark A Watson, Toshiaki Iitaka, et al.
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Search research articles
Search
Showing results (11-20 of 49) with videos related to
Sort By:
Page
of 5
ACS Omega
|
December 23, 2024
Theoretical Insights into High-<i>T</i> <sub>c</sub> Superconductivity of Structurally Ordered YThH<sub>18</sub>: A First-Principles Study
Abdul Ghaffar, Peng Song, Ryo Maezono, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 19, 2019
A new ab initio modeling scheme for the ion self-diffusion coefficient applied to the ε-Cu<sub>3</sub>Sn phase of the Cu-Sn alloy
Tom Ichibha, Genki Prayogo, Kenta Hongo, et al.
The Journal of Chemical Physics
|
November 2, 2010
Unified interpretation of Hund's first and second rules for 2p and 3p atoms
Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe, et al.
Journal of Chemical Theory and Computation
|
April 4, 2023
Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power <i>Ansatz</i>
Abhishek Raghav, Ryo Maezono, Kenta Hongo, et al.
Journal of Computer-Aided Molecular Design
|
March 11, 2017
Bayesian molecular design with a chemical language model
Hisaki Ikebata, Kenta Hongo, Tetsu Isomura, et al.
The Journal of Physical Chemistry. A
|
September 13, 2019
Method for the Calculation of the Hamaker Constants of Organic Materials by the Lifshitz Macroscopic Approach with Density Functional Theory
Hideyuki Takagishi, Takashi Masuda, Tatsuya Shimoda, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
September 12, 2023
Stiffer Bonding of Armchair Edge in Single-Layer Molybdenum Disulfide Nanoribbons
Chunmeng Liu, Kenta Hongo, Ryo Maezono, et al.
ACS Applied Materials & Interfaces
|
May 16, 2022
Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials
Yuki Yoshimoto, Takahiro Toma, Kenta Hongo, et al.
ACS Omega
|
October 4, 2021
Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo
Genki I Prayogo, Hyeondeok Shin, Anouar Benali, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited
Kenta Hongo, Mark A Watson, Toshiaki Iitaka, et al.
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of 5