Aromatic xanthates and dithiocarbamates for the polymerization of ethylene through reversible addition–fragmentation chain transfer (RAFT)
A Wolpers, C Bergerbit, B Ebeling… - Angewandte Chemie …, 2019 - Wiley Online Library
Aromatic xanthates and dithiocarbamates were used as chain‐transfer agents (CTAs) in
reversible addition–fragmentation chain‐transfer (RAFT) polymerizations of ethylene under …
reversible addition–fragmentation chain‐transfer (RAFT) polymerizations of ethylene under …
Computational studies on thermo-kinetics aspects of pyrolysis of isopropyl acetate and its methyl, bromide and hydroxyl derivatives
The gas-phase decomposition kinetics of isopropyl acetate (IPA) and its methyl, bromide
and hydroxyl derivatives into the corresponding acid and propene were investigated using …
and hydroxyl derivatives into the corresponding acid and propene were investigated using …
Theoretical study on the mechanisms and kinetics of the β-elimination of 2, 2-dihaloethyltrihalosilanes (X= F, Cl, Br) compounds: a DFT study along with a natural …
The β-elimination kinetics of 2, 2-dihaloethyltrihalosilanes in the gas phase has been
studied computationally using density functional theory (DFT) along with the M06-2 x …
studied computationally using density functional theory (DFT) along with the M06-2 x …
A theoretical study of the tautomerism kinetics of 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one in the gas phase: NBO population and NICS analysis
The tautomerization reactions of the 4-amino-6-methyl-3-thioxo-3, 4-dihydro-1, 2, 4-triazin-5
(2 H)-one studied by means of M06-2 x and CBS-QB3 theoretical methods. The measured …
(2 H)-one studied by means of M06-2 x and CBS-QB3 theoretical methods. The measured …
Experimental and theoretical studies of the homogeneous, unimolecular gas-phase elimination kinetics of trimethyl orthovalerate and trimethyl orthochloroacetate
The rates of gas-phase elimination of trimethyl orthovalerate and trimethyl
orthochloroacetate have been determined in a static system, and the reaction Pyrex vessels …
orthochloroacetate have been determined in a static system, and the reaction Pyrex vessels …
[HTML][HTML] Reaction mechanisms and kinetics of the β-elimination processes of compounds CHF2CH2SiFnMe3–n (n= 0–3): DFT and CBS-QB3 methods using Rice …
The gas-phase β-elimination kinetics of 2, 2-difluoroethyltrifluorosilane (1), 2, 2-
difluoroethylmethyldifluorosilane (2), 2, 2-difluoroethyldimethylfluorosilane (3), and 2, 2 …
difluoroethylmethyldifluorosilane (2), 2, 2-difluoroethyldimethylfluorosilane (3), and 2, 2 …
A computational study to unravel the selectivity in an iron-catalysed [3+ 2] cycloaddition of aziridine and heterocumulenes
D Adhikari - RSC advances, 2015 - pubs.rsc.org
The reaction mechanism of cycloaddition between phenyl aziridine and heterocumulene
catalysed by iron salts in water has been modeled computationally to trace the origin of the …
catalysed by iron salts in water has been modeled computationally to trace the origin of the …
Theoretical study and NBO analysis of the kinetics and mechanism of the gas phase elimination reactions of 2-chloroethylsilane and derivatives
The gas phase elimination kinetics of 2-chloroethyltrichlorosilane (1), 2-chloro-
ethylethyldichlorosilane (2), 2-chloroethyldiethylchlorosilane (3), and 2-chloro …
ethylethyldichlorosilane (2), 2-chloroethyldiethylchlorosilane (3), and 2-chloro …
[HTML][HTML] Kinetics studies on the tautomeric reaction of 4-amino-5-methyl-2, 4-dihydro-3H-1, 2, 4-triazole-3-thione in the gas phase: DFT and CBS-QB3 methods using …
Z Kazeminejad, A Shiroudi, K Pourshamsian… - Journal of the Chilean …, 2019 - SciELO Chile
The isomerization reactions of the 4-amino-5-methyl-2, 4-dihydro-3H-1, 2, 4-triazole-3-
thione have been studied theoretically using density functional theory (DFT) along with …
thione have been studied theoretically using density functional theory (DFT) along with …
DFT Calculations of the Elimination Kinetics of Silacyclobutanes and its Methyl Derivatives in the Gas-Phase
The gas-phase thermal decomposition kinetics of silacyclobutane (1), 1-methyl-
silacyclobutane (2), and 1, 1-dimethyl-1-silacyclobutane (3) has been theoretically studied at …
silacyclobutane (2), and 1, 1-dimethyl-1-silacyclobutane (3) has been theoretically studied at …