Home » ECSOC-15 » Section e: Computational Chemistry
The 15th International Electronic Conference on Synthetic Organic Chemistry
E: Computational Chemistry
List of presentations (20)
Silylation of cellobiose as a model reaction for the synthesis of silylated cellulose. A DFT and PM3 approach.
Computational Study on the effect of microhydration on amonium···phenol and methylammonium···phenol complexes
1,3-Dipolar Cycloaddition of Nitrile Oxides to [C60]fullerene: A Density Functional Theory Study
Calculation of the stabilization energy when the oxidative guanine damages pair with guanine
The Nature of Nonbonded Interactions between Divalent Selenium and Sulfur: a Theoretical Investigation
Theoretical study of the mechanisms of the decomposition of ethyl and ethyl 3-phenyl glycidate
EFFECT OF STRUCTURAL FEATURES OF TRI-FUNCTIONALIZED ARYL PHOSPHATE ISOMERS IN THE SRN1 BEHAVIOUR. A DFT STUDY
Membrane permeation properties of benzo[a]phenoxazinium fluorescent probes using molecular modelling techniques
Influence of the substitution on the inversion barrier of corannulene: a theoretical study.
Structures, Energetics and Reactivities of Novel Silanetellurones: A Computational Study
"Monoalkylbenzenes substituted by functional groups in the side chain. The effect of alkyl groups spatial structure on the chemical shift of aromatic ortho-protons in NMR1H spectra"
The effect of branching in alkyl substituents on the value of chemical shifts of nuclei of H-2 and H-3 atoms of phenyl ring in NMR 1H spectra of monosubstituted para-alkylaromatic compounds
The effect of branching in alkyl substituents on the value of chemical shifts of nuclei of C-1 – C-4 atoms of phenyl ring in NMR 13C spectra of monosubstituted para-alkylbenzenes