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List of works by Atsushi Ishikawa

Electrocatalytic synthesis of ammonia by surface proton hopping

scientific article published on 5 June 2017

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

scientific article published on 01 January 2020

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

scientific article published on 01 December 2019

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

scientific article published on 13 February 2010

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

scientific article

Reaction Energy Benchmarks of Hydrocarbon Combustion by Gaussian Basis and Plane Wave Basis Approaches

scientific article published on 09 April 2019

Solving the Schrödinger and Dirac equations of hydrogen molecular ion accurately by the free iterative complement interaction method.

scientific article published in March 2008

Solving the Schrödinger equation of atoms and molecules without analytical integration based on the free iterative-complement-interaction wave function.

scientific article published on 12 December 2007

Theoretical study of photoinduced epoxidation of olefins catalyzed by ruthenium porphyrin

scientific article published on 15 April 2011

XPS of oxygen atoms on Ag(111) and Ag(110) surfaces: accurate study with SAC/SAC-CI combined with dipped adcluster model.

scientific article published on 16 May 2013

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