Results 301 to 310 of about 1,054,616 (313)

Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology.

Journal of Physical Chemistry A, 2008
V. Polo, J. Andrés, S. Berski, L. Domingo, B. Silvi   +4 more
semanticscholar   +1 more source

Topological analysis of the electron localization function applied to delocalized bonds

, 1996
A. Savin, B. Silvi, F. Colonna
semanticscholar   +1 more source

The role of electronic delocalization in transition metal complexes from the electron localization function and the quantum theory of atoms in molecules viewpoints

, 2009
E. Matito, M. Solà
semanticscholar   +1 more source

Enantiomerically pure alleno-acetylenic macrocycles: synthesis, solid-state structures, chiroptical properties, and electron localization function analysis.

Chemistry, 2010
Pablo Rivera‐Fuentes, J. Alonso-Gómez, Ana G. Petrovic, P. Seiler, F. Santoro, N. Harada, N. Berova, H. Rzepa, F. Diederich   +8 more
semanticscholar   +1 more source

Local moments, electron correlation and density functional theory

International Journal of Quantum Chemistry, 2009
J. C. Stoddart, N. H. March, D. Wiid
openaire   +1 more source

Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach.

Chemistry, 2005
S. Shaik, D. Danovich, B. Silvi, David Lauvergnat, P. Hiberty   +4 more
semanticscholar   +1 more source

Sigma-pi separation of the electron localization function and aromaticity.

Journal of Chemical Physics, 2004
J. Santos, W. Tiznado, R. Contreras, P. Fuentealba   +3 more
semanticscholar   +1 more source

Comparative analysis of electron-density and electron-localization function for dinuclear manganese complexes with bridging boron- and carbon-centered ligands.

Chemistry, 2009
K. Götz, M. Kaupp, H. Braunschweig, D. Stalke   +3 more
semanticscholar   +1 more source

Topological Analysis of the Electron Localization Function (ELF) Applied to the Electrophilic Aromatic Substitution

, 2000
F. Fuster, A. Sevin, B. Silvi
semanticscholar   +1 more source

Local-Scaling Many-Electron Density Functional Theory

1996
openaire   +1 more source