Search Result "The electron localization function (ELF) theory"
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
Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3555-3565
Author(s): Bernard Silvi, Peter Reinhardt
Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry
Ebook: Frontiers in Computational Chemistry
Volume: 5 Year: 2020
Author(s): Luis R. Domingo,Nivedita Acharjee
Doi: 10.2174/9789811457791120050007
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
Comprehensive Quantum Mechanical Study of Structural Features, Reactivity, Molecular Properties and Wave Function-Based Characteristics of Capmatinib
Ebook: Advanced Materials and Nano Systems: Theory and Experiment - Part 2
Volume: 2 Year: 2022
Author(s):
Doi: 10.2174/9789815049961122020016
Unexpected Gas-Phase Ion Chemistry Results Unraveled by Computational Chemistry
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1600-1611
Author(s): Jose A. Gamez, Ines Corral, Otilia Mo, Manuel Yanez
Editorial [Hot Topic: Electron Delocalization in Organic Chemistry (Guest Editors: Dr. Eduard Matito and Prof. Sola)]
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3554-3554
Author(s): Eduard Matito, Prof. Sola
Atoms-in-Molecules Dual Functional Analysis of Weak to Strong Interactions
Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 181-197
Author(s): Waro Nakanishi, Satoko Hayashi
Density Functional Studies of Bis-alkylating Nitrogen Mustards
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): Pradip Kr. Bhattacharyya,Sourab Sinha,Nabajit Sarmah,Bhabesh Chandra Deka
Doi: 10.2174/9781608059782115020006