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 …
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 …
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 …
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 …
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
The advanced glycoxidation end products (AGEs) and lipoxidation end products (ALEs)
contribute to the development of diabetic complications and of other pathologies. The review …
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 …
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 …
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 …
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
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 …
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
The 4-amino-N-[2 (diethylamino) ethyl] benzamide (procainamide)-tetraphenylborate
complex was synthesized by reacting sodium tetraphenyl borate with 4-amino-N-[2 …
complex was synthesized by reacting sodium tetraphenyl borate with 4-amino-N-[2 …