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。Magnetic coupling in bis-nitronylnitroxide radicals: The role of aromatic bridges
Vincenzo Barone et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited
Carmen J. Calzado et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
A Few Comments on the Application of Density Functional Theory to the Calculation of the Magnetic Structure of Oligo-Nuclear Transition Metal Clusters
Alessandro Bencini et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals
Vincenzo Barone et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Some considerations on the proper use of computational tools in transition metal chemistry
Alessandro Bencini
INORGANICA CHIMICA ACTA (2008)
Isotropic non-Heisenberg terms in the magnetic coupling of transition metal complexes
Roland Bastardis et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Toward an effective yet reliable many-body computation of magnetic couplings in bisnitronyl nitroxide biradicals
Vincenzo Barone et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes
Nuria Queralt et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Inspection of the duality of a verdazyl-based radical in transition metal complexes:: A π* donor ligand and a magnetic partner
Jean-Baptiste Rota et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities
Frank Neese et al.
COORDINATION CHEMISTRY REVIEWS (2007)
Spin symmetry requirements in density functional theory: The proper way to predict magnetic coupling constants in molecules and solids
Francesc Illas et al.
THEORETICAL CHEMISTRY ACCOUNTS (2006)
A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physics
IPR Moreira et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
A spectroscopy oriented configuration interaction procedure
F Neese
JOURNAL OF CHEMICAL PHYSICS (2003)
Analysis of the magnetic coupling in binuclear complexes.: II.: Derivation of valence effective Hamiltonians from ab initio CI and DFT calculations
CJ Calzado et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Analysis of the magnetic coupling in binuclear complexes. I. Physics of the coupling
CJ Calzado et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
分享论文
