4.7 Article

An ab initio multireference perturbation theory study on the manganese dimer

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。
Article Chemistry, Physical

On the Heisenberg behaviour of magnetic coupling in the manganese dimer

I. Negodaev et al.

CHEMICAL PHYSICS LETTERS (2008)

Article Chemistry, Multidisciplinary

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)

Article Chemistry, Physical

Density functional study of manganese dimer

Shusuke Yamanaka et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)

Article Chemistry, Physical

New perspectives in multireference perturbation theory:: the n-electron valence state approach

Celestino Angeli et al.

THEORETICAL CHEMISTRY ACCOUNTS (2007)

Article Chemistry, Physical

A study of the ground state of manganese dimer using quasidegenerate perturbation theory

S Yamamoto et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

New relativistic ANO basis sets for transition metal atoms

BO Roos et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Chemistry, Physical

Crystal structure and disorder of the fast oxide-ion conductor cubic Bi2O3

M Yashima et al.

CHEMICAL PHYSICS LETTERS (2003)

Review Chemistry, Physical

Chemical bonding, electron affinity, and ionization energies of the homonuclear 3d metal dimers

GL Gutsev et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

Review Chemistry, Multidisciplinary

Periodic properties of force constants of small transition-metal and lanthanide clusters

JR Lombardi et al.

CHEMICAL REVIEWS (2002)

Article Chemistry, Physical

Introduction of n-electron valence states for multireference perturbation theory

C Angeli et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

Homonuclear 3d transition-metal diatomics:: A systematic density functional theory study

CJ Barden et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Article Chemistry, Physical

An investigation of density functionals: The first-row transition metal dimer calculations

S Yanagisawa et al.

JOURNAL OF CHEMICAL PHYSICS (2000)