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Nature Communications
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August 3, 2019
A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
Swastibrata Bhattacharyya, Ryoji Sahara, Kaoru Ohno
Molecules (Basel, Switzerland)
|
July 12, 2025
Intramolecular Versus Intermolecular Bonding in Drug Gemcitabine and Nucleobases: A Computational Study
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara
ACS Omega
|
May 25, 2026
Deciphering Noncovalent Interactions in Preassociation Complexes of Water, CO<sub>2</sub>, DMSO with <i>N</i>‑Methylmorpholine <i>N</i>‑Oxide: Implications for CO<sub>2</sub> Sequestration
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara
ACS Omega
|
June 17, 2024
Unveiling the Intermolecular Interactions between Drug 5-Fluorouracil and Watson-Crick/Hoogsteen Base Pairs: A Computational Analysis
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara
Scientific Reports
|
January 14, 2018
Excellent room temperature deformability in high strain rate regimes of magnesium alloy
Hidetoshi Somekawa, Alok Singh, Ryoji Sahara, et al.
Nanomaterials (Basel, Switzerland)
|
November 26, 2024
Non-Adiabatic Excited-State Time-Dependent <i>GW</i> (TD<i>GW</i>) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule
Aaditya Manjanath, Ryoji Sahara, Yoshiyuki Kawazoe, et al.
The Journal of Chemical Physics
|
May 8, 2024
Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans' theorem: An accurate description of methane photolysis
Aaditya Manjanath, Ryoji Sahara, Kaoru Ohno, et al.
International Journal of Molecular Sciences
|
May 27, 2009
Probing the structure, stability and hydrogen adsorption of lithium functionalized isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn) by density functional theory
Natarajan Sathiyamoorthy Venkataramanan, Ryoji Sahara, Hiroshi Mizuseki, et al.
Science and Technology of Advanced Materials
|
January 4, 2018
Effect of Si on the oxidation reaction of α-Ti(0 0 0 1) surface: <i>ab initio</i> molecular dynamics study
Somesh Kr Bhattacharya, Ryoji Sahara, Kyosuke Ueda, et al.
Journal of Computational Chemistry
|
December 27, 2025
Localized Molecular Orbitals for Single Excitation Theories
Aaditya Manjanath, David Casanova, Ryoji Sahara, 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
Nature Communications
|
August 3, 2019
A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
Swastibrata Bhattacharyya, Ryoji Sahara, Kaoru Ohno
Molecules (Basel, Switzerland)
|
July 12, 2025
Intramolecular Versus Intermolecular Bonding in Drug Gemcitabine and Nucleobases: A Computational Study
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara
ACS Omega
|
May 25, 2026
Deciphering Noncovalent Interactions in Preassociation Complexes of Water, CO<sub>2</sub>, DMSO with <i>N</i>‑Methylmorpholine <i>N</i>‑Oxide: Implications for CO<sub>2</sub> Sequestration
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara
ACS Omega
|
June 17, 2024
Unveiling the Intermolecular Interactions between Drug 5-Fluorouracil and Watson-Crick/Hoogsteen Base Pairs: A Computational Analysis
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara
Scientific Reports
|
January 14, 2018
Excellent room temperature deformability in high strain rate regimes of magnesium alloy
Hidetoshi Somekawa, Alok Singh, Ryoji Sahara, et al.
Nanomaterials (Basel, Switzerland)
|
November 26, 2024
Non-Adiabatic Excited-State Time-Dependent <i>GW</i> (TD<i>GW</i>) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule
Aaditya Manjanath, Ryoji Sahara, Yoshiyuki Kawazoe, et al.
The Journal of Chemical Physics
|
May 8, 2024
Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans' theorem: An accurate description of methane photolysis
Aaditya Manjanath, Ryoji Sahara, Kaoru Ohno, et al.
International Journal of Molecular Sciences
|
May 27, 2009
Probing the structure, stability and hydrogen adsorption of lithium functionalized isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn) by density functional theory
Natarajan Sathiyamoorthy Venkataramanan, Ryoji Sahara, Hiroshi Mizuseki, et al.
Science and Technology of Advanced Materials
|
January 4, 2018
Effect of Si on the oxidation reaction of α-Ti(0 0 0 1) surface: <i>ab initio</i> molecular dynamics study
Somesh Kr Bhattacharya, Ryoji Sahara, Kyosuke Ueda, et al.
Journal of Computational Chemistry
|
December 27, 2025
Localized Molecular Orbitals for Single Excitation Theories
Aaditya Manjanath, David Casanova, Ryoji Sahara, et al.
Page
of 2