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List of works by Takayoshi Ishimoto

A Synthetic Pseudo-Rh: NOx Reduction Activity and Electronic Structure of Pd-Ru Solid-solution Alloy Nanoparticles

scientific article

A fragment molecular-orbital-multicomponent molecular-orbital method for analyzing HD isotope effects in large molecules

scientific article published on 01 January 2006

A metal-organic framework as an electrocatalyst for ethanol oxidation.

scientific article published in July 2010

Ab initio calculations of deuterium isotope effects on chemical shifts of salt-bridged lysines.

scientific article

Electron-electron and electron-nucleus correlation effects on exponent values of Gaussian-type functions for quantum protons and deuterons

scientific article published on 01 October 2006

Electronic Structure and Phase Stability of PdPt Nanoparticles

scientific article published on 10 February 2016

Geometric isotope effect of various intermolecular and intramolecular C-H...O hydrogen bonds, using the multicomponent molecular orbital method

scientific article published on 01 June 2006

Geometrical structure of benzene and naphthalene: ultrahigh-resolution laser spectroscopy and ab initio calculation.

scientific article

One-Dimensional Fullerene/Porphyrin Cocrystals: Near-Infrared Light Sensing through Component Interactions

scientific article published on 31 December 2019

Parallel Fock matrix construction with distributed shared memory model for the FMO-MO method.

scientific article published in October 2010

Quantum treatment of hydrogen nuclei in primary kinetic isotope effects in a thermal [1,5]-sigmatropic hydrogen (or deuterium) shift from (Z)-1,3-pentadiene

scientific article published on 01 January 2007

Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: application to isotopome

scientific article

Structure and excited-state dynamics of anthracene: ultrahigh-resolution spectroscopy and theoretical calculation

scientific article

The valence band structure of AgxRh1–x alloy nanoparticles

Theoretical study of H/D isotope effects on nuclear magnetic shieldings using an ab initio multi-component molecular orbital method.

scientific article

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