Quantum-chemical study of electrophilic addition reaction of iodine to ethylene

1984 ◽  
Vol 25 (4) ◽  
pp. 699-705 ◽  
Author(s):  
Jin Suqian (S. Q. Jin) ◽  
Liu Ruozhuang (R. Z. Liu)
Keyword(s):  
Quantum Chemical ◽  
Addition Reaction ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Electrophilic Addition ◽  
Electrophilic Addition Reaction

A quantum chemical study on electrophilic addition

1975 ◽  
Vol 38 (1) ◽  
pp. 21-35 ◽  
Author(s):  
Alan C. Hopkinson ◽  
Min H. Lien ◽  
Keith Yates ◽  
Imre G. Csizmadia
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Electrophilic Addition

Quantum-chemical study of the photochemical addition reaction of dialkyl disulfides with olefins

2009 ◽  
Vol 49 (3) ◽  
pp. 240-244
Author(s):  
Yu. A. Borisov ◽  
A. K. Dyusengaliev ◽  
G. A. Orazova ◽  
T. P. Serikov
Keyword(s):  
Quantum Chemical ◽  
Addition Reaction ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Dialkyl Disulfides

Quantum-chemical study of substituent effects in meta and para substituted phenyl isothiocyanates in π-electronic approximation

1980 ◽  
Vol 45 (4) ◽  
pp. 1056-1064 ◽  
Author(s):  
Ivan Danihel ◽  
Pavol Kristian ◽  
Josef Kuthan ◽  
Mária Minčíková
Keyword(s):  
Nucleophilic Addition ◽  
Quantum Chemical ◽  
Addition Reaction ◽  
Quantum Chemical Study ◽  
Substituent Effects ◽  
Chemical Study ◽  
Reaction Centre ◽  
Nucleophilic Reaction ◽  
Nucleophilic Addition Reaction ◽  
Linear Correlations

HMO and PPP calculations of a series of meta and para substituted phenyl isothiocyanates have been carried out with the aim of study of the substituent effects on the reaction centre of these compounds. The transition state of nucleophilic addition reaction of phenyl isothiocyanates has been approximated by two models, and the calculated localization energies at the carbon atom of NCS group have been investigated with respect to logarithms of rate constants of the nucleophilic reaction and to σ constants. Whereas in the former relation (i.e. localization energies vs log k) rough trends only have been found, the latter one (i.e. localization energies or π-electron densities vs σ) shows statistically significant linear correlations.

A quantum chemical study of the acidity of acetylene and 1,2-dihydrobuckminsterfullerene de-rivatives

2018 ◽  
Vol 59 (1) ◽  
pp. 51-53
Author(s):  
M. V. Makarova ◽  
◽  
S. G. Semenov ◽  
R. R. Kostikov ◽  
◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study
Sign in / Sign up

Export Citation Format

Share Document