Quantum-chemical investigation of the stability of radical-anions and the electron affinity of chlorine-substituted methanes and cyclopropanes

1983 ◽  
Vol 32 (9) ◽  
pp. 1788-1790
Author(s):  
V. I. Faustov ◽  
A. I. D'yachenko ◽  
O. M. Nefedov
Keyword(s):  
Electron Affinity ◽  
Quantum Chemical ◽  
Chemical Investigation ◽  
Radical Anions ◽  
Quantum Chemical Investigation ◽  
The Stability

Thermal stability and structures of gaseous GeB2O4 and GeMo2O7

RSC Advances ◽  
2014 ◽  
Vol 4 (75) ◽  
pp. 39725-39731 ◽  
Author(s):  
Sergey I. Lopatin ◽  
Andrej I. Panin ◽  
Sergey M. Shugurov ◽  
Ksenia A. Emelyanova
Keyword(s):  
Mass Spectrometry ◽  
Thermal Stability ◽  
Quantum Chemical ◽  
Chemical Investigation ◽  
Structure Parameters ◽  
Knudsen Effusion ◽  
Quantum Chemical Investigation ◽  
Knudsen Effusion Mass Spectrometry ◽  
The Stability

The stability of gaseous GeMo2O7 and GeB2O4 were confirmed by Knudsen effusion mass spectrometry. To get structure parameters of these gaseous salts quantum chemical investigation of molecules was undertaken.

scholarly journals Steric effects vs. electron delocalization: a new look into stability of diastereomers, conformers and constitutional Isomers

2021 ◽  
Author(s):  
Sopanant Datta ◽  
Taweetham Limpanuparb
Keyword(s):  
Quantum Chemical ◽  
Chemical Investigation ◽  
Electron Delocalization ◽  
Steric Effects ◽  
Quantum Mechanical ◽  
Stable Form ◽  
Quantum Chemical Investigation ◽  
Mechanical Methods ◽  
Qualitative Models ◽  
The Stability

<div> <p>A quantum chemical investigation of the stability of compounds with identical formulas was carried out on 23 classes of compounds made of C, N, P, O, S atoms as core structures and halogens H, F, Cl, Br, I as substituents. All possible structures were generated and investigated by quantum mechanical methods. The prevalence of a formula in which its <i>Z</i> configuration, <i>gauche</i> conformation or <i>meta</i> isomer is the most stable form is calculated and discussed. Quantitative and qualitative models to explain the stability of 23 classes of halogenated compounds were also proposed.</p></div>

Photo-redox coupled Co-pincer complexes for efficient decarbonylation of aryl carbonyls: A quantum chemical investigation

2021 ◽  
Vol 507 ◽  
pp. 111553
Author(s):  
Animesh Chowdhury ◽  
Santu Biswas ◽  
Sourav Ghoshal ◽  
Anup Pramanik ◽  
Pranab Sarkar
Keyword(s):  
Quantum Chemical ◽  
Chemical Investigation ◽  
Pincer Complexes ◽  
Quantum Chemical Investigation
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