검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
The ground and excited low-lying states of VSi20/-/+ clusters from CASSCF/CASPT2 calculations Nguyen MT, Tran QT, Tran VT Chemical Physics Letters, 721, 111, 2019 |
| 2 |
Observation of H displacement and H-2 elimination channels in the reaction of O(3P) with 1-butene from crossed beams and theoretical studies Caracciolo A, Vanuzzo G, Balucani N, Stranges D, Cavallotti C, Casavecchia P Chemical Physics Letters, 683, 105, 2017 |
| 3 |
A CASPT2 study of the spectral shift of the resonance emission lines of Rb and Cs embedded in liquid He Modesto-Costa L, Mukherjee PK, Canuto S Chemical Physics Letters, 655, 91, 2016 |
| 4 |
Ab initio study of the optical transitions on low-coordinated sites of an intermediate F center: The F-s(+)(OH)(-) center on MgO(100) surface Markovits A, Minot C, Menetrey M, Sousa C, Illas F Solid State Ionics, 178(3-4), 173, 2007 |
| 5 |
Theoretical analysis of d-d transitions for the reduced Cr/silica system Espelid O, Borve KJ Catalysis Letters, 75(1-2), 49, 2001 |
| 6 |
Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2 Graaf CD, Moreira IdPR, Illas F International Journal of Molecular Sciences, 1(2), 28, 2000 |
| 7 |
Theoretical-Studies on Magnetic-Interactions in Prussian Blue Analogs and Active Controls of Spin States by External Fields Nishino M, Kubo S, Yoshioka Y, Nakamura A, Yamaguchi K Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 305, 109, 1997 |
| 8 |
Casscf Calculations for Neutral and Anion-Radical States of Several Pi-Conjugated bis-Methylene Systems Yamaki D, Takeda S, Mori W, Yamaguchi K Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 306, 475, 1997 |