Results 151 to 160 of about 223,340 (161)

Triplet‐State Aromaticity of 4nπ‐Electron Monocycles: Analysis of Bifurcation in the π Contribution to the Electron Localization Function

ChemPhysChem, 2008
Henrik Ottosson, Sébastien Villaume
exaly  

The Chemical Bond in Polyphosphides: Crystal Structures, the Electron Localization Function, and a New View of Aromaticity in P42− and P5−

Chemistry - A European Journal, 2005
Nikolaus Körber, Florian Kraus
exaly  

Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function (ELF)

Journal of Computational Chemistry, 2000
Bernard Silvi, Franck Fuster
exaly  

Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene

Journal of Chemical Physics, 2001
Renato Contreras, Badhin Gomez, Eduardo Chamorro   +2 more
exaly  

An atom-in-molecules and electron-localization-function study of the interaction between O 2 and V x O y + /V x O y ( x = 1, 2, y = 1-5) clusters

Theoretical Chemistry Accounts, 2002
Armando Beltran, Juan Andres, Mónica Calatayud   +2 more
exaly  

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

ChemPhysChem, 2012
Piotr de Silva
exaly  

Comparative Analysis of Electron‐Density and Electron‐Localization Function for Dinuclear Manganese Complexes with Bridging Boron‐ and Carbon‐Centered Ligands

Chemistry - A European Journal, 2009
Martin Prof Dr Kaupp, Dietmar Stalke
exaly  

Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches

Chemical Reviews, 2005
Jordi Poater, Miquel Sola, Bernard Silvi   +2 more
exaly  

Local density functional for the electronic correlation

2010
ŞAKİROĞLU, SERPİL, Rasanen, E
openaire   +1 more source

The electron localization function description of aromaticity in five-membered rings

Chemical Physics, 2000
exaly