Masataka Nagaoka

According to our database, Masataka Nagaoka authored at least 6 papers between 2010 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

Atomistic chemical computation of Olefin polymerization reaction catalyzed by (pyridylamido)hafnium(IV) complex: Application of Red Moon simulation.

Kentaro Matsumoto, Masayoshi Takayanagi, Yuichi Suzuki, Nobuaki Koga, Masataka Nagaoka

J. Comput. Chem., 2019

Electrode polarization effects on interfacial kinetics of ionic liquid at graphite surface: An extended lagrangian-based constant potential molecular dynamics simulation study.

Taichi Inagaki, Masataka Nagaoka

J. Comput. Chem., 2019

2011

Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulations.

Kenta Yamada, Yoshiyuki Koyano, Takuya Okamoto, Toshio Asada, Nobuaki Koga, Masataka Nagaoka

J. Comput. Chem., 2011

A minimal implementation of the AMBER-GAUSSIAN interface for <i>ab initio</i> QM/MM-MD simulation.

Takuya Okamoto, Kenta Yamada, Yoshiyuki Koyano, Toshio Asada, Nobuaki Koga, Masataka Nagaoka

J. Comput. Chem., 2011

2010

An optimum strategy for solution chemistry using semiempirical molecular orbital method: Importance of description of charge distribution.

Norio Takenaka, Yoshiyuki Koyano, Yukinori Nakagawa, Masataka Nagaoka

J. Comput. Chem., 2010

An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework.

Yoshiyuki Koyano, Norio Takenaka, Yukinori Nakagawa, Masataka Nagaoka

J. Comput. Chem., 2010