Search Results - "AONO SHINJI" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Delocalization of the Excited State and Emission Spectrum of the Platinum(II) Bipyridine Complex in Crystal: Periodic QM/MM Study

Delocalization of the Excited State and Emission Spectrum of the Platinum(II) Bipyridine Complex in Crystal: Periodic QM/MM Study

by Nakagaki, Masayuki, Aono, Shinji, Kato, Masako, Sakaki, Shigeyoshi
Published in Journal of physical chemistry. C (14.05.2020)

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Journal Article

Aurophilicity‐Mediated Construction of Emissive Porous Molecular Crystals as Versatile Hosts for Liquid and Solid Guests

Aurophilicity‐Mediated Construction of Emissive Porous Molecular Crystals as Versatile Hosts for Liquid and Solid Guests

by Seki, Tomohiro, Ida, Kentaro, Sato, Hiroyasu, Aono, Shinji, Sakaki, Shigeyoshi, Ito, Hajime
Published in Chemistry : a European journal (13.01.2020)

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Journal Article

Evaluation Procedure of Electrostatic Potential in 3D-RISM-SCF Method and Its Application to Hydrolyses of Cis- and Transplatin Complexes

Evaluation Procedure of Electrostatic Potential in 3D-RISM-SCF Method and Its Application to Hydrolyses of Cis- and Transplatin Complexes

by Aono, Shinji, Sakaki, Shigeyoshi
Published in The journal of physical chemistry. B (01.11.2012)

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Journal Article

Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect

Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect

by Inagaki, Taichi, Aono, Shinji, Nakano, Hiroshi, Yamamoto, Takeshi
Published in The journal of physical chemistry. B (22.05.2014)

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Journal Article

3D-RISM-MP2 Approach to Hydration Structure of Pt(II) and Pd(II) Complexes: Unusual H‑Ahead Mode vs Usual O‑Ahead One

3D-RISM-MP2 Approach to Hydration Structure of Pt(II) and Pd(II) Complexes: Unusual H‑Ahead Mode vs Usual O‑Ahead One

by Aono, Shinji, Mori, Toshifumi, Sakaki, Shigeyoshi
Published in Journal of chemical theory and computation (08.03.2016)

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Journal Article

Theoretical Study of One-Electron Oxidized Mn(III)– and Ni(II)–Salen Complexes: Localized vs Delocalized Ground and Excited States in Solution

Theoretical Study of One-Electron Oxidized Mn(III)– and Ni(II)–Salen Complexes: Localized vs Delocalized Ground and Excited States in Solution

by Aono, Shinji, Nakagaki, Masayuki, Kurahashi, Takuya, Fujii, Hiroshi, Sakaki, Shigeyoshi
Published in Journal of chemical theory and computation (11.03.2014)

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Proposal of new QM/MM approach for geometry optimization of periodic molecular crystal: Self-consistent point charge representation for crystalline effect on target QM molecule

Proposal of new QM/MM approach for geometry optimization of periodic molecular crystal: Self-consistent point charge representation for crystalline effect on target QM molecule

by Aono, Shinji, Sakaki, Shigeyoshi
Published in Chemical physics letters (20.08.2012)

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Journal Article

Proton transfer in phenol-amine complexes: Phenol electronic effects on free energy profile in solution

by Aono, Shinji, Kato, Shigeki
Published in Journal of computational chemistry (01.12.2010)

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Journal Article

Solution reaction space Hamiltonian based on an electrostatic potential representation of solvent dynamics

Solution reaction space Hamiltonian based on an electrostatic potential representation of solvent dynamics

by Aono, Shinji, Yamamoto, Takeshi, Kato, Shigeki
Published in The Journal of chemical physics (14.04.2011)

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Journal Article

Electronic spectra of coumarin-151 in polar solvents: Linear response free energy approach

Electronic spectra of coumarin-151 in polar solvents: Linear response free energy approach

by Aono, Shinji, Minezawa, Noriyuki, Kato, Shigeki
Published in Chemical physics letters (26.05.2010)

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Journal Article

QM/MM Approach to Isomerization of Ruthenium(II) Sulfur Dioxide Complex in Crystal; Comparison with Solution and Gas Phases

QM/MM Approach to Isomerization of Ruthenium(II) Sulfur Dioxide Complex in Crystal; Comparison with Solution and Gas Phases

by Aono, Shinji, Sakaki, Shigeyoshi
Published in Journal of physical chemistry. C (13.09.2018)

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Journal Article

MOBILE ROBOT

MOBILE ROBOT

by AONO SHINJI
Year of Publication 17.10.2019

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Patent

Dependence of Absorption and Emission Spectra on Polymorphs of Gold(I) Isocyanide Complexes: Theoretical Study with QM/MM Approach

Dependence of Absorption and Emission Spectra on Polymorphs of Gold(I) Isocyanide Complexes: Theoretical Study with QM/MM Approach

by Aono, Shinji, Seki, Tomohiro, Ito, Hajime, Sakaki, Shigeyoshi
Published in Journal of physical chemistry. C (28.02.2019)

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Journal Article

CROSSBAR STRUCTURE AND SOLUTION SEARCH SYSTEM FOR OPTIMIZATION PROBLEM

CROSSBAR STRUCTURE AND SOLUTION SEARCH SYSTEM FOR OPTIMIZATION PROBLEM

by AONO SHINJI
Year of Publication 25.10.2018

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Patent

Theoretical study of one-electron-oxidized salen complexes of group 7 (Mn(iii), Tc(iii), and Re(iii)) and group 10 metals (Ni(ii), Pd(ii), and Pt(ii)) with the 3D-RISM-GMC-QDPT method: localized vs. delocalized ground and excited states in solution

Theoretical study of one-electron-oxidized salen complexes of group 7 (Mn(iii), Tc(iii), and Re(iii)) and group 10 metals (Ni(ii), Pd(ii), and Pt(ii)) with the 3D-RISM-GMC-QDPT method: localized vs. delocalized ground and excited states in solution

by Aono, Shinji, Nakagaki, Masayuki, Sakaki, Shigeyoshi
Published in Physical chemistry chemical physics : PCCP (2017)

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Journal Article

Theoretical study of one-electron-oxidized salen complexes of group 7 (Mn(iii), Tc(iii), and Re(iii)) and group 10 metals (Ni(ii), Pd(ii), and Pt(ii)) with the 3D-RISM-GMC-QDPT method: localized vs. delocalized ground and excited states in solutionElectronic supplementary information (ESI) available: Details of ref. 12, complete references of ref. 40 and 41, geometry and electronic structure of non-oxidized metal-salen complexes, spin distributions of one-electron oxidized salen complexes of gro

Theoretical study of one-electron-oxidized salen complexes of group 7 (Mn(iii), Tc(iii), and Re(iii)) and group 10 metals (Ni(ii), Pd(ii), and Pt(ii)) with the 3D-RISM-GMC-QDPT method: localized vs. delocalized ground and excited states in solutionElectronic supplementary information (ESI) available: Details of ref. 12, complete references of ref. 40 and 41, geometry and electronic structure of non-oxidized metal-salen complexes, spin distributions of one-electron oxidized salen complexes of gro

by Aono, Shinji, Nakagaki, Masayuki, Sakaki, Shigeyoshi
Year of Publication 28.06.2017

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Journal Article

A 3D-RISM-SCF method with dual solvent boxes for a highly polarized system: application to 1,6-anhydrosugar formation reaction of phenyl α- and β-D-glucosides under basic conditions

A 3D-RISM-SCF method with dual solvent boxes for a highly polarized system: application to 1,6-anhydrosugar formation reaction of phenyl α- and β-D-glucosides under basic conditions

by AONO, Shinji, HOSOYA, Takashi, SAKAKI, Shigeyoshi
Published in Physical chemistry chemical physics : PCCP (07.05.2013)

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Journal Article

PIEZOELECTRIC DRIVE SPEAKER

PIEZOELECTRIC DRIVE SPEAKER

by AONO SHINJI
Year of Publication 16.02.2015

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Patent

VIBRATION POWER GENERATION DEVICE

VIBRATION POWER GENERATION DEVICE

by AONO SHINJI, MITSUYA HIROYUKI, ASHIZAWA HISAYUKI, KIN NARIKAZU
Year of Publication 30.06.2022

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Patent

SOLUTION SEARCH SYSTEM, SOLUTION SEARCH METHOD, AND SOLUTION SEARCH PROGRAM

SOLUTION SEARCH SYSTEM, SOLUTION SEARCH METHOD, AND SOLUTION SEARCH PROGRAM

by AONO SHINJI, OKODA KAORI, FUKUDA SHINGO, KASAI SEIYA
Year of Publication 18.05.2022

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Patent

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