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Isodesmic reaction

Known as: Isodesmic, Isodesmic equation, Isodesmic reactions 
An isodesmic reaction is a chemical reaction in which the type of chemical bonds broken in the reactant are the same as the type of bonds formed in… 
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Computational chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2015
2015
Supramolecular gels in crystal engineering
What is a Supramolecular Gel and why the link to CrystEngComm? This question brings this editorial to the main purpose of this… 
2010
2010
Theoretical studies of nitrilotriacetic acid and nitrilotripropionic acid geometries for estimation of the stability of metal complexes by Density Functional Theory
2008
2008
Theoretical Studies on the Thermodynamic Product Size Distribution in Nucleation−Elongation Polymerization under Imbalanced Stoichiometry
Three different models are developed to calculate the thermodynamic product size distribution in a nucleation−elongation… 
2008
2008
Novel aromatic species containing group 14 atoms
Abstract The dianions of tetraphenylsilole and tetraphenylgermole behave as aromatic species, as shown by the equalization of C-C… 
2006
2006
The effect of stoichiometry on ab initio-based thermochemistry predictions
2004
2004
O–H Bond dissociation enthalpies in hydroxyphenols: A time-resolved photoacoustic calorimetry and quantum chemistry study
Time-resolved photoacoustic calorimetry (TR-PAC) was used to investigate the energetics of O–H bonds of phenol, catechol… 
1999
1999
A theoretical study of ROX (R=H, CH3; X=F, Cl, Br) enthalpies of formation, ionization potentials and fluoride affinities
1997
1997
Role of Guanine Nucleotides in the Vinblastine-Induced Self-Association of Tubulin : Effects of Guanosine R , â-Methylenetriphosphate and Guanosine R , â-Methylenediphosphate †
It is now well established that guanine nucleotides are allosteric effectors of the vinca alkaloidinduced self-association of… 
1995
1995
Silylated bisketenes: Accessible and reactive organic intermediates
Abstract 
1992
1992
Ab initio MO study of the thermal decomposition of fluorinated disilanes, Si2H6-nFn (n = 0, 1, 2)
The reactants, transition structures, and products for the various channels for the thermal decomposition of Si 2 H 6-n F n were… 
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