1. Analyzing torquoselectivity in electrocyclic ring opening reactions of trans-3, 4-dimethylcyclobutene and 3-formylcyclobutene through electronic structure principles1. Issue 35 (21st September 2015) Authors: Morales-Bayuelo, Alejandro; Pan, Sudip; Caballero, Julio; Chattaraj, Pratim K. Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 35(2015) Page Start: 23104 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Discerning the thermal cyclotrimerizations of fluoro- and chloroacetylenes through ELF, NBO descriptors and QTAIM analysis: pseudodiradical character. Issue 7 (July 2020) Authors: Morales-Bayuelo, Alejandro; Sánchez-Márquez, Jesús Journal: Heliyon Issue: Volume 6:Issue 7(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Efficient synthesis and antioxidant activity of novel N-propargyl tetrahydroquinoline derivatives through the cationic Povarov reaction. Issue 8 (August 2019) Authors: Rodriguez Núñez, Yeray A.; Norambuena, Maximiliano; Romero Bohorquez, Arnold R.; Morales-Bayuelo, Alejandro; Gutíerrez, Margarita Journal: Heliyon Issue: Volume 5:Issue 8(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Mathematical Analysis of a Series of 4-Acetylamino-2-(3, 5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines: A Simple Way to Relate Quantum Similarity to Local Chemical Reactivity Using the Gaussian Orbitals Localized Theory. (16th April 2014) Authors: Morales-Bayuelo, Alejandro; Valdiris, Verónica; Vivas-Reyes, Ricardo Other Names: Putz Mihai V. Academic Editor. Journal: Journal of theoretical chemistry Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. New insights about electronic mechanism of electrocyclic reactions: theoretical study about stereoselectivity in cyclobutenes. Issue 4 (April 2021) Authors: Morales-Bayuelo, Alejandro; Sánchez-Márquez, Jesús Journal: Heliyon Issue: Volume 7:Issue 4(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Quantum mechanics and 3D-QSAR studies on thienopyridine analogues: inhibitors of IKKβ. Issue 6 (June 2020) Authors: Ul-Haq, Zaheer; Khan, Alamgir; Ashraf, Sajda; Morales-Bayuelo, Alejandro Journal: Heliyon Issue: Volume 6:Issue 6(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Scale Alpha and Beta of Quantitative Convergence and Chemical Reactivity Analysis in Dual Cholinesterase/Monoamine Oxidase Inhibitors for the Alzheimer Disease Treatment Using Density Functional Theory (DFT). (22nd December 2013) Authors: Morales-Bayuelo, Alejandro; Baldiris, Rosa; Vivas-Reyes, Ricardo Other Names: Borosky Gabriela Academic Editor.; Ge Qingfeng Academic Editor.; Koyama Michihisa Academic Editor.; Lamsabhi Al Mokhtar Academic Editor.; Russo Nino Academic Editor.; Sajan D. Academic Editor. Journal: Journal of theoretical chemistry Issue: Volume 2013(2013) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Theoretical Calculations and Modeling for the Molecular Polarization of Furan and Thiophene under the Action of an Electric Field Using Quantum Similarity. (17th March 2014) Authors: Morales-Bayuelo, Alejandro; Vivas-Reyes, Ricardo Other Names: Du Aijun Academic Editor. Journal: Journal of quantum chemistry Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Topological Model on the Inductive Effect in Alkyl Halides Using Local Quantum Similarity and Reactivity Descriptors in the Density Functional Theory. (19th February 2014) Authors: Morales-Bayuelo, Alejandro; Vivas-Reyes, Ricardo Other Names: Glossman-Mitnik Daniel Academic Editor. Journal: Journal of quantum chemistry Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Understanding the Polar Character Trend in a Series of Diels-Alder Reactions Using Molecular Quantum Similarity and Chemical Reactivity Descriptors. (7th July 2014) Authors: Morales-Bayuelo, Alejandro; Vivas-Reyes, Ricardo Other Names: Glossman-Mitnik Daniel Academic Editor. Journal: Journal of quantum chemistry Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗