화학공학소재연구정보센터
검색결과 : 31건
No. Article
1 Ab initio Theoretical Study on the 4f(2) and 4f5d Electronic Manifolds of Cubic Defects in CaF2:Pr3+
Krosnicki M, Kedziorski A, Seijo L, Barandiaran Z
Journal of Physical Chemistry A, 118(2), 358, 2014
2 Ce and La Single- and Double-Substitutional Defects in Yttrium Aluminum Garnet: First-Principles Study
Munoz-Garcia AB, Seijo L
Journal of Physical Chemistry A, 115(5), 815, 2011
3 Energy level shifts in two-step spin-orbit coupling ab initio calculations
Sanchez-Sanz G, Barandiaran Z, Seijo L
Chemical Physics Letters, 498(1-3), 226, 2010
4 Improved Embedding Ab Initio Model Potentials for Embedded Cluster Calculations
Pascual JL, Barros N, Barandiaran Z, Seijo L
Journal of Physical Chemistry A, 113(45), 12454, 2009
5 Energy Gaps in the 4f(13)5d(1) Manifold and Multiple Spontaneous Emissions in Yb2+-Doped CsCaBr3
Sanchez-Sanz G, Seijo L, Barandiaran Z
Journal of Physical Chemistry A, 113(45), 12591, 2009
6 The 5f(3) manifold of the free-ion U3+ : Ab initio calculations
Ruiperez F, Roos BO, Barandiaran Z, Seijo L
Chemical Physics Letters, 434(1-3), 1, 2007
7 Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets
Seijo L, Barandiaran Z
Journal of Chemical Physics, 121(14), 6698, 2004
8 High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. An ab initio embedded cluster study
Seijo L, Barandiaran Z
Journal of Chemical Physics, 118(4), 1921, 2003
9 Ab initio theoretical studies on U3+ and on the structure and spectroscopy of U3+ substitutional defects in Cs2NaYCl6, 5f (2)6d(1) manifold
Seijo L, Barandiaran Z
Journal of Chemical Physics, 118(12), 5335, 2003
10 Structure and spectroscopy of U4+ defects in Cs2ZrCl6: Ab initio theoretical studies on the 5f (2) and 5f (1)6d(1) manifolds
Barandiaran Z, Seijo L
Journal of Chemical Physics, 118(16), 7439, 2003