화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Two-Component Relativistic Equation-of-Motion Coupled-Cluster Methods for Excitation Energies and Ionization Potentials of Atoms and Molecules
Akinaga Y, Nakajima T
Journal of Physical Chemistry A, 121(4), 827, 2017
2 Use of Brueckner orbitals in second-order approximate coupled-cluster with singles and doubles (CC2) model
Akinaga Y, Kawashima Y, Ten-No S
Chemical Physics Letters, 506(4-6), 276, 2011
3 Solubilities of NiO and LaNiO3 in Li/Na eutectic carbonate with rare-earth oxide
Matsuzawa K, Akinaga Y, Mitsushima S, Ota K
Journal of Power Sources, 196(11), 5007, 2011
4 Range-separation by the Yukawa potential in long-range corrected density functional theory with Gaussian-type basis functions
Akinaga Y, Ten-No S
Chemical Physics Letters, 462(4-6), 348, 2008
5 A density functional study on the adsorption of methanethiolate on the (111) surfaces of noble metals
Akinaga Y, Nakajima T, Hirao K
Journal of Chemical Physics, 114(19), 8555, 2001
6 Theoretical study of CH4 photodissociation on Pd and Ni(111) surfaces
Akinaga Y, Taketsugu T, Hirao K
Journal of Chemical Physics, 109(24), 11010, 1998
7 Theoretical-Study of CH4 Photodissociation on the Pt(111) Surface
Akinaga Y, Taketsugu T, Hirao K
Journal of Chemical Physics, 107(2), 415, 1997