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ORCIDShigeyoshi Sakaki
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2010 – 2019
- 2019
[j11]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): 181-190 (2019)- [j10]Vijay Singh, Shigeyoshi Sakaki, Milind M. Deshmukh:
Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinoline. J. Comput. Chem. 40(24): 2119-2130 (2019) - [j9]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): 2571-2576 (2019) - 2017
- [j8]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): 1567-1573 (2017) - 2014
- [j7]Shinichi Yamabe, Guixiang Zeng, Wei Guan, Shigeyoshi Sakaki:
SN1-SN2 and SN2-SN3 mechanistic changes revealed by transition states of the hydrolyses of benzyl chlorides and benzenesulfonyl chlorides. J. Comput. Chem. 35(15): 1140-1148 (2014) - [j6]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): 2195-2204 (2014) - 2013
- [j5]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): 21-26 (2013) - [j4]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): 1013-1023 (2013) - 2012
- [j3]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): 617-628 (2012)
2000 – 2009
- 2009
- [j2]Gernot Frenking, Charles L. Brooks III, Shigeyoshi Sakaki:
Editors' note. J. Comput. Chem. 30(1): 1 (2009) - 2007
- [j1]Charles L. Brooks III, Gernot Frenking, Shigeyoshi Sakaki:
Letter from the Editors. J. Comput. Chem. 28(11): 1775 (2007)
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