Nobuaki Koga

Publication Activity (10 Years)

Years Active: 2008-2021
Publications (10 Years): 3

Top Topics

Chemical Reaction

Complex Systems

Computational Model

Quantitative And Qualitative

Top Venues

J. Comput. Chem.

Publications

Satoru Iuchi, Nobuaki Koga
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. 42 (3) (2021)
AbdelRahman A. Dahy, Nobuaki Koga
Imine hydrosilylation using an iron complex catalyst: A computational study. J. Comput. Chem. 40 (1) (2019)
Kentaro Matsumoto, Masayoshi Takayanagi, Yuichi Suzuki, Nobuaki Koga, Masataka Nagaoka
Atomistic chemical computation of Olefin polymerization reaction catalyzed by (pyridylamido)hafnium(IV) complex: Application of Red Moon simulation. J. Comput. Chem. 40 (2) (2019)
Kenta Yamada, Nobuaki Koga
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. 34 (2) (2013)
Takuya Okamoto, Kenta Yamada, Yoshiyuki Koyano, Toshio Asada, Nobuaki Koga, Masataka Nagaoka
QM/MM-MD simulation. J. Comput. Chem. 32 (5) (2011)
Kenta Yamada, Yoshiyuki Koyano, Takuya Okamoto, Toshio Asada, Nobuaki Koga, Masataka Nagaoka
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. 32 (14) (2011)
Neetha Mohan, Kunduchi P. Vijayalakshmi, Nobuaki Koga, Cherumuttathu H. Suresh
Comparison of aromatic NH***pi, OH***pi, and CH***pi interactions of alanine using MP2, CCSD, and DFT methods. J. Comput. Chem. 31 (16) (2010)
Cherumuttathu H. Suresh, Aswathy Mary Vargheese, K. Periya Vijayalakshmi, Neetha Mohan, Nobuaki Koga
Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study. J. Comput. Chem. 29 (11) (2008)