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A theoretical study on the mechanism of the cyclopolymerization of diallyl monomers.

artículo científico publicado en 2003

Ag-catalyzed azide alkyne cycloaddition: a DFT approach

Cyclopolymerization reactions of diallyl monomers: exploring electronic and steric effects using DFT reactivity indices.

artículo científico publicado en 2009

In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitors.

artículo científico publicado en 2016

Investigation of PDE5/PDE6 and PDE5/PDE11 selective potent tadalafil-like PDE5 inhibitors using combination of molecular modeling approaches, molecular fingerprint-based virtual screening protocols and structure-based pharmacophore development.

artículo científico publicado en 2017

Mechanism of Kynurenine 3-Monooxygenase-Catalyzed Hydroxylation Reaction: A Quantum Cluster Approach

scientific article published on 28 March 2019

Modeling the Effect of Substitution on the Pb(OAc)4Mediated Oxidative Cleavage of Steroidal 1,2-Diols

artículo científico publicado en 2005

Spirodiporphyrins--as binuclear metal complexes

artículo científico publicado en 2003

Stereoselective propagation in free radical polymerization of acrylamides: a DFT study.

artículo científico publicado en 2014

Structural investigation of vesnarinone at the pore domains of open and open-inactivated states of hERG1 K+ channel.

artículo científico publicado en 2017

Superior Sensor for Be2+ Ion Recognition via the Unprecedented Octahedral Crystal Structure of a One-Dimensional Coordination Polymer of Crown Fused Zinc Phthalocyanine

scientific article published on 21 December 2018

The mechanism of copper-catalyzed azide-alkyne cycloaddition reaction: a quantum mechanical investigation

artículo científico publicado en 2012

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