ELF topological analyses of bonding changes in non-polar, polar and ionic organic
reactions involving the participation of CC (X) double bonds make it possible to establish a …

Design, Synthesis, and Biological Activity of Unnatural Enediynes and Related Analogues
Equipped with pH-Dependent or Phototriggering Devices | Chemical Reviews ACS ACS …

Publisher Summary Electron localization function (ELF) helps in understanding the empirical
concept of electron localization, specially the pair electron localization in the spirit of Lewis …

Thomʼs catastrophe theory applied to the evolution of the topology of the electron
localization function (ELF) gradient field constitutes a way to rationalize the reorganization of …

Two Diels− Alder type reactions, ie, normal electron demand (NED) between 1, 3-butadiene
(BD) and acrolein (Acr) and inverse electron demand (IED) between 2, 4-pentadienal (PDA) …

1, 3-Cyclohexadiene ring opening has been studied within the bonding evolution theory
(BET) framework. We have focused on describing for the first time the electron pair …

The key role of the Global Electron Density Transfer (GEDT) in polar cycloaddition reactions
is analysed within the Molecular Electron Density Theory (MEDT) using Density Functional …

Probing the electron density transfers during a chemical reaction can provide important
insights, making possible to understand and control chemical reactions. This aim has …

The electronic rearrangement featuring the photochemically‐induced 1, 3‐cis‐butadiene is
discussed within a bonding evolution theory (BET) perspective based on the topological …

Abstract The [3+ 2] cycloaddition (32CA) reactions of the nitrile ylide (NY) with ethylene and
with dicyanoethylene (DCE) have been studied using the Molecular Electron Density Theory …