| 1 |
New Idea for Narrowing an Energy Gap by Selective Perturbation of One Frontier Molecular Orbital
Tanaka K, Chujo Y
Chemistry Letters, 50(2), 269, 2021 |
| 2 |
Quantification of molecular orbitals based on projection operators: Methodological development and applications to basicity prediction of organic compounds in the gas phase
Braga LS, Moreira RA, Leal DHS, Ramalho TC
Chemical Physics Letters, 726, 87, 2019 |
| 3 |
Photoinduced excited state dynamical behavior and ESIPT mechanism for 2-(2-hydroxy-3,5-dimethyl-phenyl)-benzooxazole-5-carboxylicacid molecule
Zhang QL, Yang XH, Yang DP, Cheng SB
Chemical Physics Letters, 730, 485, 2019 |
| 4 |
Suppression of pyrite oxidation by ferric-catecholate complexes: An electrochemical study
Li XL, Gao M, Hiroyoshi N, Tabelin CB, Taketsugu T, Ito M
Minerals Engineering, 138, 226, 2019 |
| 5 |
The sensitization effect and microscopic essence of different additives on the electronic structure of nanocrystalline TiO2 in dye-sensitized solar cell
Wang XL, Zhao JM, Chen N, Cai NQ, Zhang X, Zhao XL
Solar Energy, 189, 372, 2019 |
| 6 |
Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices
Abbasi A, Sardroodi JJ
Applied Surface Science, 436, 27, 2018 |
| 7 |
Theoretical study of the structural and electronic properties of novel stanene-based buckled nanotubes and their adsorption behaviors
Abbasi A, Sardroodi JJ, Ebrahimzadeh AR, Yaghoobi M
Applied Surface Science, 435, 733, 2018 |
| 8 |
Molecular association model of PPAR alpha and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARM alpha
Yamamoto Y, Takei K, Arulmozhiraja S, Sladek V, Matsuo N, Han SI, Matsuzaka T, Sekiya M, Tokiwa T, Shoji M, Shigeta Y, Nakagawa Y, Tokiwa H, Shimano H
Biochemical and Biophysical Research Communications, 499(2), 239, 2018 |
| 9 |
Specific interactions between mycobacterial FtsZ protein and curcumin derivatives: Molecular docking and ab initio molecular simulations
Fujimori M, Sogawa H, Ota S, Karpov P, Shulga S, Blume Y, Kurita N
Chemical Physics Letters, 692, 166, 2018 |
| 10 |
Variations in chemical descriptors during reactions
Vigneresse JL
Chemical Physics Letters, 706, 577, 2018 |
