Update 1 of: electrophilicity index

PK Chattaraj, DR Roy - Chemical reviews, 2007 - ACS Publications
Chemistry is the science of bond making and bond breaking. A thorough knowledge of these
processes in the course of the chemical reaction lies at the heart of any reaction mechanism …

Electrophilicity index revisited

R Pal, PK Chattaraj - Journal of Computational Chemistry, 2023 - Wiley Online Library
This review aims to be a comprehensive, authoritative, critical, and accessible review of
general interest to the chemistry community; because the electrophilicity index is a very …

<? ACS-CT-START-Insert?> Update 2 of:<? ACS-CT-END-Insert?> Electrophilicity Index

PK Chattaraj… - Chemical …, 2011 - ACS Publications
Chemistry is the science of bond making and bond breaking. A thorough knowledge of these
processes in the course of the chemical reaction lies at the heart of any reaction mechanism …

Electrophilicity index within a conceptual DFT framework

PK Chattaraj, S Giri - Annual Reports Section" C"(Physical Chemistry), 2009 - pubs.rsc.org
Conceptual density functional theory provides a method for analyzing the chemical reactivity
in terms of different global reactivity descriptors including electrophilicity and their local …

Molecular strategies to prevent, inhibit, and degrade advanced glycoxidation and advanced lipoxidation end products

G Aldini, G Vistoli, M Stefek, N Chondrogianni… - Free radical …, 2013 - Taylor & Francis
The advanced glycoxidation end products (AGEs) and lipoxidation end products (ALEs)
contribute to the development of diabetic complications and of other pathologies. The review …

A frontier molecular orbital theory approach to understanding the Mayr equation and to quantifying nucleophilicity and electrophilicity by using HOMO and LUMO …

LG Zhuo, W Liao, ZX Yu - Asian Journal of Organic Chemistry, 2012 - Wiley Online Library
Obtaining the reactivities (such as nucleophilicities and electrophilicities) of molecules is of
fundamental importance in chemistry. Mayr and co‐workers have developed the Mayr …

The electrophilicity index in organic chemistry

P Pérez, LR Domingo, A Aizman… - Theoretical and …, 2007 - Elsevier
We review in this chapter the applications of theoretical scales of global and local
electrophilicity to rationalize the reactivity and selectivity for a significant number of reactions …

Activation of unstrained ketone C (O)–C bond: 1, 2-nucleophilic addition followed by β-carbon elimination strategy

Q Li, Y Xu, Y Long, S Li, B Xu, Y Xia, X Zhou - ACS Catalysis, 2023 - ACS Publications
Transition-metal-catalyzed C–C bond activation has emerged as an increasingly effective
method for reorganizing a molecular skeleton. Ketone, as a versatile functional molecule …

A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the rate-determining step of multi-step reactions

P Bagaria, S Saha, S Murru, V Kavala… - Physical Chemistry …, 2009 - pubs.rsc.org
Stabilization energy, as proposed by Parr and Pearson (J. Am. Chem. Soc., 1983, 105,
7512) is decomposed into fragments. When the donor is not a perfect one and both the …

Synthesis of 4-Amino-N-[2 (diethylamino)Ethyl]Benzamide Tetraphenylborate Ion-Associate Complex: Characterization, Antibacterial and Computational Study

GAE Mostafa, AH Bakheit, MH Al-Agamy, R Al-Salahi… - Molecules, 2023 - mdpi.com
The 4-amino-N-[2 (diethylamino) ethyl] benzamide (procainamide)-tetraphenylborate
complex was synthesized by reacting sodium tetraphenyl borate with 4-amino-N-[2 …