Shigeyoshi Sakaki

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2019 J jnl
Development of dissociative force field for all-atomistic molecular dynamics calculation of fracture of polymers.
J. Comput. Chem.
Kazushi Fujimoto, Rajadeep Singh Payal, Tomonori Hattori, Wataru Shinoda, Masayuki Nakagaki, Shigeyoshi Sakaki, Susumu Okazaki
2019 J jnl
Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies.
J. Comput. Chem.
Nozomi Takagi, Masayuki Nakagaki, Kazuya Ishimura, Ryoichi Fukuda, Masahiro Ehara, Shigeyoshi Sakaki
2019 J jnl
Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinoline.
J. Comput. Chem.
Vijay Singh, Shigeyoshi Sakaki, Milind M. Deshmukh
2017 J jnl
Photo absorption of p-coumaric acid in aqueous solution: RISM-SCF-SEDD theory approach.
J. Comput. Chem.
Kenji Hirano, Hiroshi Nakano, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
2014 J jnl
A DFT study on proton transfers in hydrolysis reactions of phosphate dianion and sulfate monoanion.
J. Comput. Chem.
Shinichi Yamabe, Guixiang Zeng, Wei Guan, Shigeyoshi Sakaki
2014 J jnl
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J. Comput. Chem.
Shinichi Yamabe, Guixiang Zeng, Wei Guan, Shigeyoshi Sakaki
2013 J jnl
Consistent scheme for computing standard hydrogen electrode and redox potentials.
J. Comput. Chem.
Toru Matsui, Yasutaka Kitagawa, Mitsutaka Okumura, Yasuteru Shigeta, Shigeyoshi Sakaki
2013 J jnl
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.
Terutaka Yoshizawa, Shigeyoshi Sakaki
2012 J jnl
Two-step evaluation of binding energy and potential energy surface of van der Waals complexes.
J. Comput. Chem.
Milind M. Deshmukh, Shigeyoshi Sakaki
2009 J jnl
Editors' note.
J. Comput. Chem.
Gernot Frenking, Charles L. Brooks III, Shigeyoshi Sakaki
2007 J jnl
Letter from the Editors.
J. Comput. Chem.
Charles L. Brooks III, Gernot Frenking, Shigeyoshi Sakaki