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Yoshishige Okuno

Selective assembly on a surface of supramolecular aggregates with controlled size and shape
2001 · Takashi Yokoyama, Shiyoshi Yokoyama, et al. · Nature · 860
Elucidating the Key Role of Phosphine−Sulfonate Ligands in Palladium-Catalyzed Ethylene Polymerization: Effect of Ligand Structure on the Molecular Weight and Linearity of Polyethylene
2016 · Ryo Nakano, Lung Wa Chung, et al. · ACS Catalysis · 90
Simulation study on the influence of an electric field on water evaporation
2009 · Yoshishige Okuno, Mie Minagawa, et al. · Journal of Molecular Structure THEOCHEM · 80
Methylene-Bridged Bisphosphine Monoxide Ligands for Palladium-Catalyzed Copolymerization of Ethylene and Polar Monomers
2018 · Yusuke Mitsushige, Hina Yasuda, et al. · ACS Macro Letters · 79
Natural products syntheses using anodic oxidation of phenols as a key step
1991 · Shosuke Yamamura, Yoshikazu Shizuri, et al. · Tetrahedron · 72
Theoretical Study of Benzonitrile Clusters in the Gas Phase and Their Adsorption onto a Au(111) Surface
2002 · Yoshishige Okuno, Takashi Yokoyama, et al. · Journal of the American Chemical Society · 54
Microscopic description of nonadiabatic, nonequilibrium, and equilibrium solvations for solvated cluster reactions: (H2O)nCl−+CH3Cl→ClCH3+Cl−(H2O)n
1996 · Yoshishige Okuno · The Journal of Chemical Physics · 38
Interaction between Monomeric Units of Donor−Acceptor-Functionalized Azobenzene Dendrimers: Effects on Macroscopic Configuration and First Hyperpolarizability
2001 · Yoshishige Okuno, Shiyoshi Yokoyama, et al. · The Journal of Physical Chemistry B · 33
The chemical reaction molecular dynamics method and the dynamic transition state: proton transfer reaction in formamidine and water solvent system
1991 · Masataka Nagaoka, Yoshishige Okuno, et al. · Journal of the American Chemical Society · 31
Theoretical study of aryl-ring rotation in arylporphyrins
2002 · Yoshishige Okuno, Toshiya Kamikado, et al. · Journal of Molecular Structure THEOCHEM · 30
Dendrimers for Optoelectronic Applications
2003 · Shiyoshi Yokoyama, Akira Otomo, et al. · Topics in current chemistry · 29
A Cluster Model Study of Contact Ion Pair Formation of t -BuCl in Aqueous Solution: Calculational Evidence for Nucleophilic Solvent Assistance in S N 1 Reaction
1998 · Yoshishige Okuno · The Journal of Physical Chemistry A · 28
Deposition of Thermally Unstable Molecules with the Spray-Jet Technique on Au(111) Surface
2005 · Hitoshi Suzuki, Toshiki Yamada, et al. · The Journal of Physical Chemistry B · 27
Chemical Reaction Molecular Dynamics Simulation and the Energy-Transfer Mechanism in the Proton-Transfer Reaction of Formamidine in Aqueous Solution
1994 · Masataka Nagaoka, Yoshishige Okuno, et al. · The Journal of Physical Chemistry · 22
Efficient synthesis of (±)-8,14-cedranoxide using electrochemical method as a key step
1987 · Yoshikazu Shizuri, Yoshishige Okuno, et al. · Tetrahedron Letters · 22
Theoretical Examination of Solvent Reorganization and Nonequilibrium Solvation Effects in Microhydrated Reactions
2000 · Yoshishige Okuno · Journal of the American Chemical Society · 18
Extended transition-state theory and constant-energy chemical-reaction molecular-dynamics method for liquid-phase chemical reactions
1992 · Masataka Nagaoka, Yoshishige Okuno, et al. · The Journal of Chemical Physics · 17
Number Density Descriptor on Extended-Connectivity Fingerprints Combined with Machine Learning Approaches for Predicting Polymer Properties
2018 · Takuya Minami, Yoshishige Okuno · MRS Advances · 16
Refining coarse-grained molecular topologies: a Bayesian optimization approach
2025 · Pranoy Ray, Adam P. Generale, et al. · npj Computational Materials · 15
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A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Application to examination of the reaction CH4+F→CH3+HF
2000 · Yoshishige Okuno, Shiyoshi Yokoyama, et al. · The Journal of Chemical Physics · 15
A microscopic theory for solution chemical reactions: Introduction of reactant and medium structures into generalized langevin equation formalism
1994 · Masataka Nagaoka, Yoshishige Okuno, et al. · International Journal of Quantum Chemistry · 14
Prediction of repeat unit of optimal polymer by Bayesian optimization
2019 · Takuya Minami, Masaaki Kawata, et al. · MRS Advances · 13
Effects of reaction path curvature on reaction dynamics and rates: Reaction path Hamiltonian calculations for gas-phase SN2 reaction Cl?+CH3Cl
1998 · Yoshishige Okuno · International Journal of Quantum Chemistry · 13
Ab initio study of solvent kinetic isotope effects in microhydrated SN2 reactions
1997 · Yoshishige Okuno · Chemical Physics Letters · 12
Theoretical study of molecular rectification in porphyrin dimer
2007 · Yoshishige Okuno, Shiyoshi Yokoyama · Thin Solid Films · 11
Works count: 83
Citation count: 1,795
H-index: 17
I10-index: 26
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