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

An automated efficient conformation search of l -serine by the scaled hypersphere search method

(2016) Naoki Kishimoto et al.   CHEMICAL PHYSICS LETTERS

Study of Potential Energy Surfaces towards Global Reaction Route Mapping

(2016) Koichi Ohno   CHEMICAL RECORD

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

(2016) Hiroko Satoh et al.   Journal of Chemical Theory and Computation

Isomers of Benzene on Its Global Network of Reaction Pathways

(2015) Hiroaki Tokoyama et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Prism-C2n carbon dimer, trimer, and nano-sheets: A quantum chemical study

(2015) Koichi Ohno et al.   CHEMICAL PHYSICS LETTERS

Wavy carbon: A new series of carbon structures explored by quantum chemical calculations

(2015) Koichi Ohno et al.   CHEMICAL PHYSICS LETTERS

A Prism Carbon Molecule C20

(2015) Koichi Ohno et al.   CHEMISTRY LETTERS

Exploring mechanisms of a tropospheric archetype: CH3O2 + NO

(2015) Andrew M. Launder et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanisms for the inversion of chirality: Global reaction route mapping of stereochemical pathways in a probable chiral extraterrestrial molecule, 2-aminopropionitrile

(2015) Ramanpreet Kaur et al.   JOURNAL OF CHEMICAL PHYSICS

Exploration of Isomers of Benzene by GRRM/SCC-DFTB

(2014) Hiroaki Tokoyama et al.   CHEMISTRY LETTERS

On the mechanism of intramolecular nitrogen-atom hopping in the carbon chain of C6N radical: A Plausible 3c−4e crossover π̂ Long-Bond

(2014) Gurpreet Kaur et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Direct Pathway for Water–Gas Shift Reaction in Gas Phase

(2013) Yu Harabuchi et al.   CHEMISTRY LETTERS

Global reaction route mapping of isomerization pathways of exotic C6H molecular species

(2013) Vikas et al.   JOURNAL OF CHEMICAL PHYSICS

Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods

(2013) Satoshi Maeda et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum Chemistry of C3H6O Molecules: Structure and Stability, Isomerization Pathways, and Chirality Changing Mechanisms†

(2010) Munusamy Elango et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A new global reaction route map on the potential energy surface of H2CO with unrestricted level

(2008) Satoshi Maeda et al.   CHEMICAL PHYSICS LETTERS

Automated exploration of reaction channels

(2008) K Ohno et al.   PHYSICA SCRIPTA

Approach to the Atmospheric Chemistry of Methyl Nitrate and Methylperoxy Nitrite. Chemical Mechanisms of Their Formation and Decomposition Reactions in the Gas Phase

(2007) Juan F. Arenas et al.   JOURNAL OF PHYSICAL CHEMISTRY A