The quantum chemical investigation of molecular complexes formed with bromine molecule of adamantylideneadamantan and its derivatives: electronic and steric effects

2002 ◽  
Vol 589-590 ◽  
pp. 431-438 ◽  
Author(s):  
Rıza Abbasoğlu ◽  
Sevil Savaşkan Yılmaz
Keyword(s):  
Quantum Chemical ◽  
Molecular Complexes ◽  
Chemical Investigation ◽  
Steric Effects ◽  
Quantum Chemical Investigation ◽  
Electronic And Steric Effects

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>

Quantum-chemical investigation of molecular complexes of hydrogen chloride dimer

1993 ◽  
Vol 33 (4) ◽  
pp. 507-510 ◽  
Author(s):  
V. V. Smirnov ◽  
I. P. Gloriozov ◽  
I. N. Novikov ◽  
T. N. Rostovshchikova
Keyword(s):  
Hydrogen Chloride ◽  
Quantum Chemical ◽  
Molecular Complexes ◽  
Chemical Investigation ◽  
Quantum Chemical Investigation

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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