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Conceptual Density Functional Theory of Chemical Reactivity

Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781608059287114010013

A DFT Explanation of the Reactivity and Regioselectivity of the Diels- Alder Reactions Between 2,3,4,4a-Tetrahydroquinoline and some Electron-Deficient Dienophiles

Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 119-124
Author(s): Rachid Jalal, M. Jose Aurell, Mhamed Esseffar

Conceptual Density Functional Theory of Chemical Reactivity

Ebook: Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Volume: 1 Year: 2015
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781681081977115010013

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

Reactivity of 9-anilinoacridine Derivatives as Potent AnticancerAgents: A DFT Approach

Journal: Current Physical Chemistry
Volume: 12 Issue: 3 Year: 2022 Page: 203-215
Author(s): Ramesh Chandra Deka

Understanding the Diels-Alder Reactivity of Superelectrophilic Nitrobenzofuroxans and Related 10π-Heteroaromatics through DFT-Based Electrophilicity Descriptors

Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 108-118
Author(s): Sami Lakhdar, Guillaume Berionni, Regis Goumont, Francois Terrier

Shannon’s, Mutual, Conditional and Joint Entropy Information Indices: Generalization of Global Indices Defined from Local Vertex Invariants

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 164-183
Author(s): Stephen J. Barigye,Yovani Marrero-Ponce,Oscar Martinez Santiago,Yoan Martinez Lopez,Facundo Perez-Gimenez,Francisco Torrens

Parabolic Reactivity “Coloring” Molecular Topology: Application to Carcinogenic PAHs

Journal: Current Organic Chemistry
Volume: 17 Issue: 23 Year: 2013 Page: 2816-2830
Author(s): Mihai V. Putz,Ottorino Ori,Franco Cataldo,Ana-Maria Putz

Synthesis, Antioxidant Activity and Theoretical Investigation of Isoxazolines Derivatives of Monoterpenoids

Journal: Letters in Organic Chemistry
Volume: 16 Issue: 6 Year: 2019 Page: 501-510
Author(s): Melek Gul,Serpil Eryılmaz

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 8 Year: 2013 Page: 590-602
Author(s): Sanchaita Rajkhowa, Iftikar Hussain, Kalyan K. Hazarika, Pubalee Sarmah, Ramesh Chandra Deka