Related references
Note: Only part of the references are listed.Some considerations on the proper use of computational tools in transition metal chemistry
Alessandro Bencini
INORGANICA CHIMICA ACTA (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)
Molecular tailoring and prediction of strongly ferromagnetically coupled trimethylenemethane-based nitroxide diradicals
Md. Ehesan Ali et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Organic spintronics
W. J. M. Naber et al.
JOURNAL OF PHYSICS D-APPLIED PHYSICS (2007)
Restricted ensemble-referenced Kohn-Sham versus broken symmetry approaches in density functional theory: Magnetic coupling in Cu binuclear complexes
Iberio de P. R. Moreira et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Spintronics: A challenge for materials science and solid-state chemistry
Claudia Felser et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Free energy calculations (FEP and TI): Conformational preference of a cyclodextrinic [2]catenane: A case study
Miguel de Federico et al.
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE (2006)
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)
Displays develop a new flexibility
Jin Jang
MATERIALS TODAY (2006)
Broken-symmetry density functional theory investigation on bis-nitronyl nitroxide diradicals: Influence of length and aromaticity of couplers
ME Ali et al.
JOURNAL OF PHYSICAL CHEMISTRY A (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)
Extent and limitations of density-functional theory in describing magnetic systems
F Illas et al.
PHYSICAL REVIEW B (2004)
The use of local orbitals in multireference calculations
C Angeli et al.
MOLECULAR 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)
Multiconfigurational perturbation theory: An efficient tool to predict magnetic coupling parameters in biradicals, molecular complexes, and ionic insulators
C de Graaf et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Spintronics:: A spin-based electronics vision for the future
SA Wolf et al.
SCIENCE (2001)
Share Paper
