Search Result "intrinsic reaction coordinate calculations (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

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

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

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

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

A Theoretical Study on the Possibility of Functionalization of C20 Fullerene Via its Diels-Alder Reaction with 1,3-Butadiene

Journal: Letters in Organic Chemistry
Volume: 13 Issue: 1 Year: 2016 Page: 2-6
Author(s): Amir Siadati

Enantioselective Hetero-Diels-Alder Reaction of Aromatic Aldehydes Catalyzed by ((R)-1,1´-Bi-2-naphthoxy)titanium Dichloride: Experimental and Theoretical Results

Journal: Current Catalysis
Volume: 5 Issue: 1 Year: 2016 Page: 25-34
Author(s): Nidhi Sogani,R. K. Bansal,Pragya Sinha

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