A. Ishikawa

发表

Complicated Electronic Process of C–C σ-Bond Activation of Cyclopropene by Ruthenium and Iridium Complexes: Theoretical Study

S. Sakaki, Hirofumi Sato, A. Ishikawa, 2012 .

Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules

H. Nakai, A. Ishikawa, M. Kamata, 2016 .

Quantum chemical approach for condensed-phase thermochemistry: proposal of a harmonic solvation model.

H. Nakai, A. Ishikawa, 2014, The Journal of chemical physics.

1H NMR STUDIES ON THE MOTION OF WATER MOLECULES IN MAGNESIUM HEXACHLOROSTANNATE(IV) AND HEXACHLOROTELLURATE(IV) HEXAHYDRATES

Y. Mori, A. Ishikawa, Y. Hirakawa, 1995 .

Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents.

M. Okada, K. Sodeyama, Y. Tateyama, 2019, Physical chemistry chemical physics : PCCP.

Theoretical Analysis of the Oxidation Potentials of Organic Electrolyte Solvents

H. Nakai, A. Ishikawa, Y. Kawamura, 2015 .

What Is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab Initio Molecular Dynamics Study

Y. Tateyama, A. Ishikawa, 2020 .

Favorable Role of the Metal–Support Perimeter Region in Electrochemical NH3 Synthesis: A Density Functional Theory Study on Ru/BaCeO3

J. Otomo, Y. Tateyama, A. Ishikawa, 2022, ACS omega.

Electrocatalytic synthesis of ammonia by surface proton hopping

H. Nakai, S. Ogo, Y. Sekine, 2017, Chemical science.

Phase separation in hydrated LTA zeolite

A. Ishikawa, S. Ishikawa, A. Sasane, 2005 .

Heterogeneous catalyst design by generative adversarial network and first-principles based microkinetics

A. Ishikawa, 2022, Scientific Reports.

Molecular structure and internal rotation of CF₃ group of methyl trifluoroacetate: gas electron diffraction, microwave spectroscopy, and quantum chemical calculation studies.

H. Takeuchi, A. Ishikawa, Takayuki Kobayashi, 2015, The journal of physical chemistry. A.

Pd(II)-promoted direct cross-coupling reaction of arenes via highly regioselective aromatic C-H activation: a theoretical study.

S. Sakaki, Hirofumi Sato, A. Ishikawa, 2010, Dalton transactions.

Chlorine nuclear quadrupole resonances and motion of pyridinium ions in pyridinium tetrachloroaurate(III)

A. Ishikawa, T. Asaji, D. Nakamura, 1989 .

35Cl NQR and XRD Studies on Cs2[Ag(I)xAu(I)1 − xCl2][Au(III)Cl4]

H. Ohki, A. Ishikawa, A. Sasane, 2007 .

Temperature- and pressure-dependent adsorption configuration of NO molecules on Rh(111) surface: A theoretical study

H. Nakai, A. Ishikawa, T. Hirai, 2019, Surface Science.

First-Principles Microkinetic Analysis of NO + CO Reactions on Rh(111) Surface toward Understanding NOx Reduction Pathways

Y. Tateyama, A. Ishikawa, 2018, The Journal of Physical Chemistry C.

Density Functional Theory Analysis of Elementary Reactions in NOx Reduction on Rh Surfaces and Rh Clusters

H. Nakai, A. Ishikawa, Fumiko Deushi, 2017 .

X-Ray Diffraction Study on the Structural Phase Transitions of (KCN)x(KBr) 1-x Mixed Crystals

H. Iwasaki, A. Ishikawa, Y. Yoshimura, 1999 .

A 1H NMR STUDY OF MOLECULAR MOTIONS IN CHLOROPENTAMETHYLBENZENE

Y. Mori, Y. Nakashima, A. Ishikawa, 1997 .

Novel photocurrent rectification behaviour for a photoconductive cell using the mesogenic 5,10,15,20-tetrakis(4-n-pentadecylphenyl)porphyrin

A. Ishikawa, Masaru Miya, Y. Shimizu, 1993 .

The important role of N2H formation energy for low-temperature ammonia synthesis in an electric field

H. Nakai, T. Yabe, Takuma Higo, 2020 .

Electron-Hopping Brings Lattice Strain and High Catalytic Activity in the Low-Temperature Oxidative Coupling of Methane in an Electric Field

H. Nakai, T. Yabe, S. Ogo, 2018 .

Heteroatom doping effects on interaction of H2O and CeO2 (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion.

H. Nakai, Takuma Higo, S. Ogo, 2020, The Journal of chemical physics.

Agglomeration Suppression of a Fe-Supported Catalyst and its Utilization for Low-Temperature Ammonia Synthesis in an Electric Field

H. Nakai, Takuma Higo, S. Ogo, 2020, ACS omega.

Photoconducting behavior in relation to phase transitions. 5,10,15,20-Tetrakis(4-pentadecylphenyl)porphyrin.

A. Ishikawa, Y. Shimizu, S. Kusabayashi, 1986 .

Solid-Phase Synthesis of C-Terminal Hexapeptide Analogs of Substance P

A. Ishikawa, S. Sofuku, I. Muramatsu, 1988 .

Alumina and admicellar sorbents for the separation of copper(II) ions and humic complexes in water.

A. Ishikawa, M. Hiraide, 2002, Analytical Sciences.

Reaction energy benchmarks of hydrocarbon combustion by Gaussian basis and plane wave basis approaches

Atsushi Ishikawa, Yoshitaka Tateyama, Y. Tateyama, 2019, J. Comput. Chem..

Combining Generative Adversarial Network and First-Principles Based Microkinetics for Heterogeneous Catalyst Design

A. Ishikawa, 2021 .

Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules

H. Nakai, A. Ishikawa, 2015 .

Critical impacts of interfacial water on C–H activation in photocatalytic methane conversion

A. Ishikawa, K. Takeyasu, T. Sugimoto, 2023, Communications Chemistry.

Theoretical Study on Excess-Electron Transfer in DNA Based on the Marcus Theory

H. Nakai, A. Ishikawa, M. Hoshino, 2014 .

Efficient Oxygen Evolution Electrocatalysis on CaFe2O4 and Its Reaction Mechanism

Keigo Kamata, Y. Tateyama, T. Yamaguchi, 2021 .

Hybrid Functional Study of H-Abstraction from Methane by Li-Doped, Pristine and Stepped MgO(100) and MgO(110) Surfaces

Y. Tateyama, A. Ishikawa, 2020, Catalysis Letters.

Catalytic performance of Ru, Os, and Rh nanoparticles for ammonia synthesis: A density functional theory analysis

H. Nakai, A. Ishikawa, T. Doi, 2018 .

Theoretical study of photoinduced epoxidation of olefins catalyzed by ruthenium porphyrin.

S. Sakaki, A. Ishikawa, 2011, The journal of physical chemistry. A.

Manipulation of CO adsorption over Me1/CeO2 by heterocation doping: Key roles of single-atom adsorption energy.

Y. Sekine, A. Ishikawa, K. Murakami, 2021, The Journal of chemical physics.

A First-Principles Microkinetics for Homogeneous–Heterogeneous Reactions: Application to Oxidative Coupling of Methane Catalyzed by Magnesium Oxide

Y. Tateyama, A. Ishikawa, 2021 .

Governing factors of supports of ammonia synthesis in an electric field found using density functional theory

H. Nakai, Takuma Higo, S. Ogo, 2019, The Journal of Chemical Physics.

On‐Surface Synthesis of Porphyrin‐Complex Multi‐Block Co‐Oligomers by Defluorinative Coupling

S. Kawai, Y. Tateyama, A. Osuka, 2021, Angewandte Chemie.

Quantum chemical approach for condensed-phase thermochemistry (III): Accurate evaluation of proton hydration energy and standard hydrogen electrode potential

H. Nakai, A. Ishikawa, 2016 .

Pd(II)-promoted direct cross-coupling reaction of arenes via highly regioselective aromatic C-H activation: a theoretical study.

S. Sakaki, Hirofumi Sato, A. Ishikawa, 2010, Dalton transactions.

Theoretical prediction by DFT and experimental observation of heterocation-doping effects on hydrogen adsorption and migration over the CeO2(111) surface.

H. Nakai, Takuma Higo, A. Ishikawa, 2021, Physical chemistry chemical physics : PCCP.