Nucleus-independent chemical shifts (NICS) as an aromaticity criterion
Z Chen, CS Wannere, C Corminboeuf, R Puchta… - Chemical …, 2005 - ACS Publications
Few concepts are as frequently used as aromaticity in the current chemical literature. 1 This
may be quantified by ca. 300 000 papers dealing with the aromatic properties of chemical …
may be quantified by ca. 300 000 papers dealing with the aromatic properties of chemical …
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 …
Four decades of the chemistry of planar hypercoordinate compounds
The idea of planar tetracoordinate carbon (ptC) was considered implausible for a hundred
years after 1874. Examples of ptC were then predicted computationally and realized …
years after 1874. Examples of ptC were then predicted computationally and realized …
Theoretical chemistry of gold. II
P Pyykkö - Inorganica Chimica Acta, 2005 - Elsevier
Gold is an element whose unique properties are strongly influenced by relativistic effects. A
large body of appropriate calculations now exists and its main conclusions are summarized …
large body of appropriate calculations now exists and its main conclusions are summarized …
<? 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 …
Stability, reactivity, and aromaticity of compounds of a multivalent superatom
PK Chattaraj, S Giri - The journal of physical chemistry A, 2007 - ACS Publications
In this article, we analyze the stability, reactivity, and possible aromatic behavior of two
recently reported clusters (Reveles, JU; Khanna, SN; Roach, PJ; Castleman, AW, Jr. Proc …
recently reported clusters (Reveles, JU; Khanna, SN; Roach, PJ; Castleman, AW, Jr. Proc …
Metal effect on the supramolecular structure, photophysics, and acid− base character of trinuclear pyrazolato coinage metal complexes
MA Omary, MA Rawashdeh-Omary… - Inorganic …, 2005 - ACS Publications
Varying the coinage metal in cyclic trinuclear pyrazolate complexes is found to significantly
affect the solid-state packing, photophysics, and acid− base properties. The three isoleptic …
affect the solid-state packing, photophysics, and acid− base properties. The three isoleptic …
Aromaticity and antiaromaticity in transition-metal systems
Aromaticity is an important concept in chemistry primarily for organic compounds, but it has
been extended to compounds containing transition-metal atoms. Recent findings of …
been extended to compounds containing transition-metal atoms. Recent findings of …
DFT study of “all-metal” aromatic compounds
CA Tsipis - Coordination chemistry reviews, 2005 - Elsevier
An overview of recent quantum chemical studies on all-metal aromatic compounds is
presented. Novel classes of inorganic molecules containing bonds that are characterized by …
presented. Novel classes of inorganic molecules containing bonds that are characterized by …