4.5 Article

Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function

Related references

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

Fast orbital localization scheme in molecular fragments resolution

Piotr de Silva et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Electron Localization Function at the Correlated Level: A Natural Orbital Formulation

Ferran Feixas et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Chemistry, Physical

Use of non-additive Fisher information in probing chemical bonds

Roman F. Nalewajski et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2010)

Article Chemistry, Physical

Fast noniterative orbital localization for large molecules

Francesco Aquilante et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Electron localization function at the correlated level

Eduard Matito et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

A measure of electron localizability

M Kohout

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2004)

Article Chemistry, Physical

Determination of the electron localization function from electron density

V Tsirelson et al.

CHEMICAL PHYSICS LETTERS (2002)

Review Chemistry, Multidisciplinary

Chemistry with ADF

G te Velde et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)

Article Chemistry, Multidisciplinary

Wavefunctions derived from experiment. II. A wavefunction for oxalic acid dihydrate

DJ Grimwood et al.

ACTA CRYSTALLOGRAPHICA SECTION A (2001)

Article Chemistry, Physical

Chemical content of the kinetic energy density

HL Schmider et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2000)