Nobuaki Koga
Orcid: 0000-0002-2619-6713
According to our database1,
Nobuaki Koga
authored at least 8 papers
between 2008 and 2021.
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Bibliography
2021
A model electronic Hamiltonian to describe low-lying d-d and metal-to-ligand charge-transfer excited states of [Fe(bpy)3]2+.
J. Comput. Chem., 2021
2019
Atomistic chemical computation of Olefin polymerization reaction catalyzed by (pyridylamido)hafnium(IV) complex: Application of Red Moon simulation.
J. Comput. Chem., 2019
J. Comput. Chem., 2019
2013
Variationally determined electronic states for the theoretical analysis of intramolecular interaction. II. Qualitative nature of the P‒O bond in phosphine oxides.
J. Comput. Chem., 2013
2011
Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulations.
J. Comput. Chem., 2011
A minimal implementation of the AMBER-GAUSSIAN interface for <i>ab initio</i> QM/MM-MD simulation.
J. Comput. Chem., 2011
2010
Comparison of aromatic NH***pi, OH***pi, and CH***pi interactions of alanine using MP2, CCSD, and DFT methods.
J. Comput. Chem., 2010
2008
Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study.
J. Comput. Chem., 2008