Results 291 to 300 of about 1,054,616 (313)

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, M. Duran, M. Solà, B. Silvi   +3 more
semanticscholar   +1 more source

Nature of the ring‐closure process along the rearrangement of octa‐1,3,5,7‐tetraene to cycloocta‐1,3,5‐triene from the perspective of the electron localization function and catastrophe theory

Journal of Computational Chemistry, 2012
J. Andrés, S. Berski, L. Domingo, Patricio González-Navarrete   +3 more
semanticscholar   +1 more source

Exploration of the π-electronic structure of singlet, triplet, and quintet states of fulvenes and fulvalenes using the electron localization function.

Journal of Physical Chemistry A, 2012
C. Dahlstrand, Martin Rosenberg, K. Kilså, H. Ottosson   +3 more
semanticscholar   +1 more source

The nature of the C–As bonds in arsaalkynes: an atoms in molecules and electron localization function study

Theoretical Chemistry accounts, 2012
T. Marino, M. C. Michelini, N. Russo, E. Sicilia, M. Toscano   +4 more
semanticscholar   +1 more source

An Introduction to the Electron Localization Function

2009
P Fuentealba, D Guerra, A Savin
openaire   +2 more sources

Olefin epoxidation by molybdenum peroxo compound: molecular mechanism characterized by the electron localization function and catastrophe theory.

Journal of Physical Chemistry A, 2011
S. Berski, F. Sensato, V. Polo, J. Andrés, V. S. Safont   +4 more
semanticscholar   +1 more source

Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO

Journal of Computational Chemistry, 2011
S. Berski, Z. Latajka, A. Gordon
semanticscholar   +1 more source

On the multiple B–N bonding in boron compounds using the topological analysis of electron localization function (ELF)

, 2011
S. Berski, Z. Latajka, A. Gordon
semanticscholar   +1 more source

Electron localization function study on intramolecular electron transfer in the QTTFQ and DBTTFI radical anions.

Journal of Physical Chemistry A, 2011
J. Kalinowski, S. Berski, A. Gordon
semanticscholar   +1 more source

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

Journal of Chemical Theory and Computation, 2010
F. Feixas, E. Matito, M. Duran, M. Solà, B. Silvi   +4 more
semanticscholar   +1 more source