Lista de obras - Miroslav Kohout - Dominio Público Uruguay

Beyond Standard Charge Density Topological Analyses

artículo científico publicado en 2011

Bonding indicators from electron pair density functionals

artículo científico publicado en 2007

Charge decomposition analysis of the electron localizability indicator: a bridge between the orbital and direct space representation of the chemical bond

scientific article published on 01 January 2007

Direct space decomposition of ELI-D: interplay of charge density and pair-volume function for different bonding situations

artículo científico publicado en 2008

Domain-averaged Fermi-hole analysis for solids

artículo científico publicado en 2012

Electron localizability for hexagonal element structures.

artículo científico publicado en 2008

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

artículo científico publicado en 2004

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

artículo científico publicado en 2005

Electron localizability indicators ELI and ELIA: the case of highly correlated wavefunctions for the argon atom

artículo científico publicado en 2008

Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. I. Li2, Be2, B2, and C2

scientific article published on 01 May 2010

Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. II. N2, O2, F2, and Ne2

scientific article published on 01 September 2010

Electron localization and delocalization indices for solids ⬇️

artículo científico publicado el 29 de abril de 2011

Electron localization function in full-potential representation for crystalline materials

artículo científico publicado en 2006

EuTM(2)Ga(8) (TM = Co, Rh, Ir) - a contribution to the chemistry of the CeFe(2)Al(8)-type compounds.

artículo científico publicado en 2009

Features of the electron density in magnesium diboride: reconstruction from X-ray diffraction data and comparison with TB-LMTO and FPLO calculations ⬇️

artículo científico publicado el 25 de septiembre de 2003

Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride

artículo científico publicado en 2014

On the Volume Chemistry of Solid Compounds: the Legacy of Wilhelm Biltz

article by Alexey I Baranov et al published December 2008 in Journal of inorganic and general chemistry

Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis

artículo científico publicado en 2015

Sr2Ni3-A Strontium Subnickelide?

TM7TM'6B8 (TM = Ta, Nb; TM' = Ru, Rh, Ir): new compounds with [B6] ring polyanions

artículo científico publicado en 2012

ThPt2: A New Representative of Close Packed Tetragonal Structures

artículo científico publicado en 2015

Tuning the Electronic Properties of the Dative N-B Bond with Associated O-B Interaction: Electron Localizability Indicator from X-Ray Wavefunction Refinement.

artículo científico publicado en 2016

Volume Chemistry of Nitrogen in Binary Metal Nitrides and Subnitrides

article published in 2004

Lista de obras de Miroslav Kohout

Beyond Standard Charge Density Topological Analyses

Bonding indicators from electron pair density functionals

Charge decomposition analysis of the electron localizability indicator: a bridge between the orbital and direct space representation of the chemical bond

Direct space decomposition of ELI-D: interplay of charge density and pair-volume function for different bonding situations

Domain-averaged Fermi-hole analysis for solids

Electron localizability for hexagonal element structures.

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

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

Electron localizability indicators ELI and ELIA: the case of highly correlated wavefunctions for the argon atom

Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. I. Li2, Be2, B2, and C2

Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. II. N2, O2, F2, and Ne2

Electron localization and delocalization indices for solids ⬇️

Electron localization function in full-potential representation for crystalline materials

EuTM(2)Ga(8) (TM = Co, Rh, Ir) - a contribution to the chemistry of the CeFe(2)Al(8)-type compounds.

Features of the electron density in magnesium diboride: reconstruction from X-ray diffraction data and comparison with TB-LMTO and FPLO calculations ⬇️

Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride

On the Volume Chemistry of Solid Compounds: the Legacy of Wilhelm Biltz

Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis

Sr2Ni3-A Strontium Subnickelide?

TM7TM'6B8 (TM = Ta, Nb; TM' = Ru, Rh, Ir): new compounds with [B6] ring polyanions

ThPt2: A New Representative of Close Packed Tetragonal Structures

Tuning the Electronic Properties of the Dative N-B Bond with Associated O-B Interaction: Electron Localizability Indicator from X-Ray Wavefunction Refinement.

Volume Chemistry of Nitrogen in Binary Metal Nitrides and Subnitrides

Zur Raumchemie des Wasserstoffs in bin�ren und tern�ren Metallhydriden