4.2 Article

Chemical bonding descriptors based on electron density inhomogeneity measure: a comparison with ELI-D

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Atomic shell structure based on inhomogeneity measures of the electron density

K. Wagner et al.

THEORETICAL CHEMISTRY ACCOUNTS (2011)

Article Chemistry, Physical

A localized electrons detector for atomic and molecular systems

Hugo J. Bohorquez et al.

THEORETICAL CHEMISTRY ACCOUNTS (2010)

Article Chemistry, Physical

Electron localizability indicator for correlated wavefunctions. III: singlet and triplet pairs

M. Kohout et al.

THEORETICAL CHEMISTRY ACCOUNTS (2008)

Article Chemistry, Physical

Bonding indicators from electron pair density functionals

Miroslav Kohout

FARADAY DISCUSSIONS (2007)

Article Chemistry, Physical

Source function description of metal-metal bonding in d-block organometallic compounds

Carlo Gatti et al.

FARADAY DISCUSSIONS (2007)

Article Chemistry, Physical

A molecular energy decomposition scheme for atoms in molecules

E Francisco et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)

Article Chemistry, Physical

Interacting quantum atoms:: A correlated energy decomposition scheme based on the Quantum Theory of Atoms in Molecules

MA Blanco et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)

Article Chemistry, Physical

Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs

M Kohout et al.

THEORETICAL CHEMISTRY ACCOUNTS (2005)

Article Chemistry, Physical

A measure of electron localizability

M Kohout

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2004)

Article Chemistry, Physical

Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs

M Kohout et al.

THEORETICAL CHEMISTRY ACCOUNTS (2004)

Article Chemistry, Physical

The spin-pair compositions as local indicators of the nature of the bonding

B Silvi

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

Article Chemistry, Physical

Occupation numbers for atomic shells in direct space bounded by the maxima of the one-electron potential

M Kohout

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2001)