Shigeyoshi Sakaki

Publication Activity (10 Years)

Years Active: 2007-2019
Publications (10 Years): 4

Top Topics

Integral Equation

State Transitions

Molecular Dynamics

Top Venues

J. Comput. Chem.

Publications

Nozomi Takagi, Masayuki Nakagaki, Kazuya Ishimura, Ryoichi Fukuda, Masahiro Ehara, Shigeyoshi Sakaki
Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies. J. Comput. Chem. 40 (1) (2019)
Vijay Singh, Shigeyoshi Sakaki, Milind M. Deshmukh
Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinoline. J. Comput. Chem. 40 (24) (2019)
Kazushi Fujimoto, Rajadeep Singh Payal, Tomonori Hattori, Wataru Shinoda, Masayuki Nakagaki, Shigeyoshi Sakaki, Susumu Okazaki
Development of dissociative force field for all-atomistic molecular dynamics calculation of fracture of polymers. J. Comput. Chem. 40 (29) (2019)
Kenji Hirano, Hiroshi Nakano, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
Photo absorption of p-coumaric acid in aqueous solution: RISM-SCF-SEDD theory approach. J. Comput. Chem. 38 (18) (2017)
Shinichi Yamabe, Guixiang Zeng, Wei Guan, Shigeyoshi Sakaki
A DFT study on proton transfers in hydrolysis reactions of phosphate dianion and sulfate monoanion. J. Comput. Chem. 35 (30) (2014)
Shinichi Yamabe, Guixiang Zeng, Wei Guan, Shigeyoshi Sakaki
3 mechanistic changes revealed by transition states of the hydrolyses of benzyl chlorides and benzenesulfonyl chlorides. J. Comput. Chem. 35 (15) (2014)
Toru Matsui, Yasutaka Kitagawa, Mitsutaka Okumura, Yasuteru Shigeta, Shigeyoshi Sakaki
Consistent scheme for computing standard hydrogen electrode and redox potentials. J. Comput. Chem. 34 (1) (2013)
Terutaka Yoshizawa, Shigeyoshi Sakaki
NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) investigated by density functional theory based on the douglas-kroll-hess hamiltonian. J. Comput. Chem. 34 (12) (2013)
Milind M. Deshmukh, Shigeyoshi Sakaki
Two-step evaluation of binding energy and potential energy surface of van der Waals complexes. J. Comput. Chem. 33 (6) (2012)
Gernot Frenking, Charles L. Brooks III, Shigeyoshi Sakaki
Editors' note. J. Comput. Chem. 30 (1) (2009)
Charles L. Brooks III, Gernot Frenking, Shigeyoshi Sakaki
Letter from the Editors. J. Comput. Chem. 28 (11) (2007)