화학공학소재연구정보센터
검색결과 : 295건
No. Article
1 Potential energy surfaces of the low-lying electronic states of the Li plus LiCs system
Jasik P, Kilich T, Kozicki J, Sienkiewicz JE
Chemical Physics Letters, 695, 119, 2018
2 Energy-switching potential energy surface for ground-state C-3
Rocha CMR, Varandas AJC
Chemical Physics Letters, 700, 36, 2018
3 Mapping Potential Energy Surfaces by Neural Networks: The ethanol/Au(111) interface
Latino DARS, Fartaria RPS, Freitas FFM, Aires-De-Sousa J, Fernandes FMSS
Journal of Electroanalytical Chemistry, 624(1-2), 109, 2008
4 First-principle theoretical study on the electronic properties of SiO2 models with hydrogenated impurities and charges
Doi K, Nakamura K, Tachibana A
Applied Surface Science, 216(1-4), 463, 2003
5 Theoretical studies in palladium and platinum molecular chemistry
Dedieu A
Chemical Reviews, 100(2), 543, 2000
6 Transition metal polyhydrides: From qualitative ideas to reliable computational studies
Maseras F, Lledos A
Chemical Reviews, 100(2), 601, 2000
7 Spin-restricted open-shell coupled-cluster theory for excited states
Szalay PG, Gauss J
Journal of Chemical Physics, 112(9), 4027, 2000
8 Electron configuration changes in excited pyrazine molecules analyzed by femtosecond time-resolved photoelectron spectroscopy
Stert V, Farmanara P, Radloff W
Journal of Chemical Physics, 112(10), 4460, 2000
9 Experimental and theoretical study of rotationally inelastic collisions of highly rotationally excited CN(A (2)Pi) with Ar
Yang X, Dagdigian PJ, Alexander MH
Journal of Chemical Physics, 112(10), 4474, 2000
10 Crossed beams studies of Mo(a S-7(3)) and Mo-*(a S-5(2)) collisions with CH4 and C2H6
Hinrichs RZ, Willis PA, Stauffer HU, Schroden JJ, Davis HF
Journal of Chemical Physics, 112(10), 4634, 2000