相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin-orbit calculations of [Re(imidazole)(CO)3(phen)]+
Radka Bakova et al.
COORDINATION CHEMISTRY REVIEWS (2011)
Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study
Vicenta Sauri et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods
Karina Kornobis et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study
Boxue Tian et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Spin-orbit ab initio investigation of the UV photoinduced bond cleavage in iodotrimethylstannane1
N. Ben Amor et al.
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE (2009)
Theoretical Study of the Cyclometalated Iridium(III) Complexes Used as Chromophores for Organic Light-Emitting Diodes
Boris Minaev et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Relativistic study on emission mechanism in tris(2-phenylpyridine)iridium
Takeshi Matsushita et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
New relativistic ANO basis sets for transition metal atoms
BO Roos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Spin-orbit effects on the electronic spectroscopy of transition metal dihydrides H2M(CO)4 (M = Fe, Os)
V Vallet et al.
CHEMICAL PHYSICS (2005)
Main group atoms and dimers studied with a new relativistic ANO basis set
BO Roos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
MOLCAS:: a program package for computational chemistry
G Karlström et al.
COMPUTATIONAL MATERIALS SCIENCE (2003)
The restricted active space (RAS) state interaction approach with spin-orbit coupling
PÅ Malmqvist et al.
CHEMICAL PHYSICS LETTERS (2002)
Electronic spectroscopy of HRe(CO)5:: a CASSCF/CASPT2 and TD-DFT study
J Bossert et al.
CHEMICAL PHYSICS LETTERS (2001)
分享论文
