α,β‐C—C—C Agostic Bonding Interactions in Ruthenacyclobutane and π‐Complex Assisted Olefin Metathesis Catalyzed by Ruthenium‐Alkylidene Complexes
CI Mitan, V Dragutan, P Filip - International Journal of Quantum …, 2024 - Wiley Online Library
ABSTRACT Computational aspects of concerted [2+ 2] oxidative‐retrocycloaddition‐
cycloreversion reaction through ruthenium alkylidene π‐complexes and ruthenacyclobutane …
cycloreversion reaction through ruthenium alkylidene π‐complexes and ruthenacyclobutane …
Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst
DFT calculations were carried out to explore all relevant pathways for the ring-closing
metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic …
metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic …
The Non-Covalent Interactions index: From biology to chemical reactivity and solid-state
B Landeros-Rivera, J Contreras-García - Advances in Quantum Chemical …, 2023 - Elsevier
Abstract The Non-Covalent Interaction (NCI) index has become a versatile tool for analyzing
the presence and strength of localized and delocalized interactions in systems of interest to …
the presence and strength of localized and delocalized interactions in systems of interest to …
Application of the fractal model to estimate the diffusion and solubility of gases in non-porous membranes based on aromatic polynorbornene dicarboximides
The fractal model was applied to estimate the gas diffusion and solubility coefficients in non-
porous membrane structures characterized by fractal dimension. Analytical expressions …
porous membrane structures characterized by fractal dimension. Analytical expressions …
Synthesis of heterogeneous metathesis catalysts for the development of sustainable processes
S Gutiérrez-Flores, L García-Barrera… - … energy, biomass & …, 2021 - aldeser.org
In recent decades, it has been tried to develop processes that involve the use of catalysts
that can be recovered from the reaction medium, to make them green and sustainable …
that can be recovered from the reaction medium, to make them green and sustainable …
Síntesis de catalizadores heterogéneos de metátesis para el desarrollo de procesos sustentables
LG Barrera, D Zárate-Saldaña… - … en energías renovables …, 2022 - aldeser.org
En las últimas décadas, se busca desarrollar procesos que impliquen el uso de
catalizadores que puedan ser recuperados del medio de reacción, para lograr que éstos se …
catalizadores que puedan ser recuperados del medio de reacción, para lograr que éstos se …