화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Experimental and Theoretical Infrared Spectroscopic Study on Hydrated Nafion Membrane
Singh RK, Kunimatsu K, Miyatake K, Tsuneda T
Macromolecules, 49(17), 6621, 2016
2 Theoretical investigation of local proton conductance in the proton exchange membranes
Singh RK, Tsuneda T, Miyatake K, Watanabe M
Chemical Physics Letters, 608, 11, 2014
3 Modified Regional Self-Interaction Correction Method Based on the Pseudospectral Method
Nakata A, Tsuneda T, Hirao K
Journal of Physical Chemistry A, 114(33), 8521, 2010
4 Theoretical Study on the Excess Electron Binding Mechanism in the [CH3NO2 center dot(H2O)(n)](-) (n=1-6) Anion Clusters
Motegi H, Takayanagi T, Tsuneda T, Yagi K, Nakanishi R, Nagata T
Journal of Physical Chemistry A, 114(34), 8939, 2010
5 Water cluster anions studied by the long-range corrected density functional theory
Yagi K, Okano Y, Sato T, Kawashima Y, Tsuneda T, Hirao K
Journal of Physical Chemistry A, 112(40), 9845, 2008
6 Anharmonic vibrational state calculations in the electronic excited states studied by time-dependent density functional theory
Tokura S, Yagi K, Tsuneda T, Hirao K
Chemical Physics Letters, 436(1-3), 30, 2007
7 An efficient state-specific scheme of time-dependent density functional theory
Chiba M, Tsuneda T, Hirao K
Chemical Physics Letters, 420(4-6), 391, 2006
8 Theoretical study on molecular property of protactinium(V) and uranium(VI) oxocations: Why does protactinium(V) form monooxo cations in aqueous solution?
Toraishi T, Tsuneda T, Tanaka S
Journal of Physical Chemistry A, 110(49), 13303, 2006
9 Chemical exchange reaction of glycinatocopper(II) complex in water: A theoretical study
Hattori T, Toraishi T, Tsuneda T, Nagasaki S, Tanaka S
Journal of Physical Chemistry A, 109(45), 10403, 2005
10 A long-range-corrected time-dependent density functional theory
Tawada Y, Tsuneda T, Yanagisawa S, Yanai T, Hirao K
Journal of Chemical Physics, 120(18), 8425, 2004