Search Result "Computed Intrinsic Reaction Coordinate (IRC)"
Theory, Experiment and Unusual Features of Potential Energy Surfaces of Pericyclic and Pseudopericyclic Reactions with Sequential Transition Structures
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1658-1668
Author(s): David Martin Birney
Studying Double Group Transfer Reactions by Means of Computational Methods
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1578-1585
Author(s): Israel Fernandez, Fernando P. Cossio
Computer-assisted Study of Garlic Organosulfur as Antioxidant Agents
Ebook: Advanced Pharmacy
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815049428123010006
Understanding the Bond Formation in Hetero-Diels-Alder Reactions. An ELF Analysis of the Reaction of Nitroethylene with Dimethylvinylamine
Journal: Current Organic Chemistry
Volume: 16 Issue: 1 Year: 2012 Page: 2343-2351
Author(s): Luis R. Domingo, Patricia Perez, M. Jose Aurell, Jose A. Saez
Understanding the High Reactivity of the Azomethine Ylides in [3 + 2] Cycloaddition Reactions
Journal: Letters in Organic Chemistry
Volume: 7 Issue: 6 Year: 2010 Page: 432-439
Author(s): Luis R. Domingo, Eduardo Chamorro, Patricia Perez
A DFT Study of the Regioselectivity in Intramolecular Diels-Alder Reactions with Formation of a Tricyclodecane Skeleton
Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 125-131
Author(s): Jorge Soto-Delgado, Arie Aizman, Renato Contreras, Luis R. Domingo
A Theoretical Study of Substitution Effect on an Electrocyclization Reaction
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 5 Year: 2013 Page: 408-412
Author(s): Mohammad Reza Zardoost, Seyyed Amir Siadati
Progress in Electronic-Structure Based Computational Methods: From Small Molecules to Large Molecular Systems of Biological Significance
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Josep M. Oliva-Enrich
Doi: 10.2174/9789815036848122060008
Describing the Molecular Mechanism of Organic Reactions by Using Topological Analysis of Electronic Localization Function
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3566-3575
Author(s): J. Andres, S. Berski, L. R. Domingo, V. Polo, B. Silvi
TMP-cadmiate: A Base for Efficient and Chemoselective Deprotonative Metallation Reactions of Aromatic Compounds
Journal: Current Organic Chemistry
Volume: 15 Issue: 1 Year: 2011 Page: 2340-2361
Author(s): Florence Mongin, Masanobu Uchiyama