List of works - Koichi Ohno

Adsorption of Small Molecules with the Hydroxyl Group on Sodium Halide Cluster Ions†

scientific article published on 01 January 2010

An Automated and Systematic Transition Structure Explorer in Large Flexible Molecular Systems Based on Combined Global Reaction Route Mapping and Microiteration Methods

scientific article published in October 2009

An overlap expansion method for improving ab initio model potentials: anisotropic intermolecular potentials of N2, CO, and C2H2 with He*(2(3)S)

scientific article published on 01 January 2004

Anionic polymerization mechanism of acrylonitrile trimer anions: key branching point between cyclization and chain propagation

scientific article published on 23 July 2012

Anisotropic interaction and stereoreactivity in a chemi-ionization process of OCS by collision with He*(2(3)S) metastable atoms

scientific article published on 01 September 2006

Anthryl-substituted 3-silylene-2-silaaziridine obtained by isomerization of disilacyclopropanimine: an exocyclic silene showing a distinct intramolecular charge transfer transition

scientific article published on 15 July 2013

Aromaticity of giant polycyclic aromatic hydrocarbons with hollow sites: super ring currents in super-rings

scientific article published on 01 July 2006

Automated exploration of adsorption structures of an organic molecule on RuH2-BINAP by the ONIOM method and the scaled hypersphere search method

scientific article published on 20 November 2007

Automated exploration of stable isomers of H(+)(H(2)O)(n) (n = 5-7) via ab initio calculations: An application of the anharmonic downward distortion following algorithm.

scientific article published in April 2009

Collision-energy-resolved Penning ionization electron spectroscopy of bromomethanes (CH3Br, CH2Br2, and CHBr3) by collision with He*(2(3)S) metastable atoms

scientific article published on 01 August 2004

Collision-energy-resolved Penning ionization electron spectroscopy of thiazole and benzothiazole: study of ionic states and anisotropic interactions between a metastable He(23S) atom and hetero cyclic compounds

scientific article published on 01 June 2006

Collision-energy-resolved penning ionization electron spectroscopy of HCOOH, CH3COOH, and HCOOCH3 by collision with He*(2(3)S) metastable atoms

scientific article published on 01 June 2005

Collision-energy-resolved penning ionization electron spectroscopy of glycine with He(2(3)S) metastable atoms: conformational isomers in collisional ionization.

scientific article published in October 2009

Conversion pathways between a fullerene and a ring among C(20) clusters by a sphere contracting walk method: Remarkable difference in local potential energy landscapes around the fullerene and the ring.

scientific article published in May 2006

Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon

scientific article published on 10 April 2018

Corrigendum: Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon

scientific article published on 10 July 2019

DFT study on isomerization and decomposition of cuprous dialkyldithiophosphate and its reaction with alkylperoxy radical.

scientific article published on 30 May 2008

Development of a cooled He*(23S) beam source for measurements of state-resolved collision energy dependence of Penning ionization cross sections: Evidence for a stereospecific attractive well around methyl group in CH3CN

scientific article published on 01 November 2005

Exploration of Carbon Allotropes with Four-membered Ring Structures on Quantum Chemical Potential Energy Surfaces

scientific article published on 03 October 2018

Finding important anharmonic terms in the sixth-order potential energy function by the scaled hypersphere search method: an application to vibrational analyses of molecules and clusters.

scientific article

From roaming atoms to hopping surfaces: mapping out global reaction routes in photochemistry.

scientific article published on 2 March 2015

Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H3 CNO3.

scientific article published on 19 January 2017

Global mapping of equilibrium and transition structures on potential energy surfaces by the scaled hypersphere search method: applications to ab initio surfaces of formaldehyde and propyne molecules.

scientific article published in June 2005

Global reaction route mapping on potential energy surfaces of formaldehyde, formic acid, and their metal-substituted analogues

scientific article published on 01 July 2006

High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H5 C2 NO2

scientific article published on 04 November 2020

Infrared Photodissociation Spectroscopy of Al+(CH3OH)n(n= 1−4)

scientific article published on 15 June 2007

Insight into global reaction mechanism of [C2, H4, O] system from ab initio calculations by the scaled hypersphere search method

scientific article published on 17 May 2007

Intramolecular vibrational frequencies of water clusters (H2O)n (n=2-5): Anharmonic analyses using potential functions based on the scaled hypersphere search method

scientific article published on 01 August 2008

Isolable 2,3-disila-1,3-butadiene from a double sila-Peterson reaction

scientific article published on 01 July 2014

Long-Range Migration of a Water Molecule To Catalyze a Tautomerization in Photoionization of the Hydrated Formamide Cluster ⬇️

scientific article published on November 11, 2010

Lowest transition state for the chirality-determining step in Ru((R)-BINAP)-catalyzed asymmetric hydrogenation of methyl-3-oxobutanoate.

scientific article published in December 2008

Microsolvation of hydrogen sulfide: exploration of H2S.(H2O)n and SH-.H3O+.(H2O)n-1 (n = 5-7) cluster structures on ab initio potential energy surfaces by the scaled hypersphere search method

scientific article published on 29 February 2008

Molecular vibrations of [n]oligoacenes (n=2-5 and 10) and phonon dispersion relations of polyacene

scientific article published on 01 February 2007

Multiple Photofragmentation Pathways with Different Recoil Anisotropy from a Metal-Ion–Ligand Complex

scientific article published in Physical Review Letters

Outer valence ionic states of Cr(CO)6 and (eta(5)-C5H5)Co(CO)2 observed by two-dimensional penning ionization electron spectroscopy

scientific article published on 01 December 2009

Penning ionization electron spectra of pyrene, chrysene, and coronene in collision with metastable He(2 3S) atoms in the gas phase.

scientific article published in January 2009

Photodissociation of Mg+-XCH3 (X=F, Cl, Br, and I) complexes. II. Fragment angular and energy distributions.

scientific article published in September 2006

Photodissociation of Mg+–XCH3 (X=F, Cl, Br, and I) complexes. I. Electronic spectra and dissociation pathways

article

Potential Energy Surface-Based Automatic Deduction of Conformational Transition Networks and Its Application on Quantum Mechanical Landscapes of d-Glucose Conformers.

scientific article published on 27 September 2016

Probing anisotropic interaction potentials of unsaturated hydrocarbons with He*(2 3S) metastable atom: attractive-site preference of sigma-direction in C2H2 and pi-direction in C2H4

scientific article published on 01 March 2006

Probing the shape and stereochemistry of molecular orbitals in locally flexible aromatic chains: a penning ionization electron spectroscopy and Green's function study of the electronic structure of biphenyl