Alicyclic reaction mechanisms. 6. Strain-reactivity relations as a tool for the localization of transition states. Equilibria, solvolysis, and redox reactions of substituted cycloalkanes

1983 ◽  
Vol 105 (11) ◽  
pp. 3556-3563 ◽  
Author(s):  
Hans Joerg Schneider ◽  
Guenther Schmidt ◽  
Fred Thomas
Keyword(s):  
Reaction Mechanisms ◽  
Redox Reactions ◽  
Transition States

Enzyme action: The delineation of novel strategies based on reaction mechanisms and transition states

1992 ◽  
Vol 64 (8) ◽  
pp. 1147-1151 ◽  
Author(s):  
D. Ranganathan ◽  
F. Farooqui ◽  
R. Rathi ◽  
S. Saini ◽  
N. Vaish ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Transition States ◽  
Enzyme Action

ChemInform Abstract: Enzyme Action: The Delineation of Novel Strategies Based on Reaction Mechanisms and Transition States

ChemInform ◽  
2010 ◽  
Vol 24 (13) ◽  
pp. no-no
Author(s):  
D. RANGANATHAN ◽  
F. FAROOQUI ◽  
R. RATHI ◽  
S. SAINI ◽  
N. VAISH ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Transition States ◽  
Enzyme Action

scholarly journals A synthetic chemist's guide to electroanalytical tools for studying reaction mechanisms

2019 ◽  
Vol 10 (26) ◽  
pp. 6404-6422 ◽  
Author(s):  
Christopher Sandford ◽  
Martin A. Edwards ◽  
Kevin J. Klunder ◽  
David P. Hickey ◽  
Min Li ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Redox Reactions ◽  
Synthetic Chemistry

A range of electroanalytical tools can be applied to studying redox reactions, probing key mechanistic questions in synthetic chemistry.

Theoretical Study of the Mechanism of the 1CBr2 + 3O2 Reaction

2011 ◽  
Vol 356-360 ◽  
pp. 31-34
Author(s):  
Cong Yun Shi ◽  
Jiao Zhang ◽  
Xing Zhong Liu
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Reaction Mechanisms ◽  
Energy Surface ◽  
Theoretical Study ◽  
Transition States ◽  
Reaction Coordinate ◽  
Intrinsic Reaction Coordinate ◽  
Singlet Potential Energy Surface

A detailed theoretical study was done in order to clarify the reaction mechanisms of the singlet dibromocarbene (1CBr2) with3O2on the singlet potential energy surface (PES). All the geometries of reactants, intermediates, transition states and products were obtained at the B3LYP/6-311++G(d,p) level. Intrinsic reaction coordinate (IRC) calculations at the same level were carried out to confirm the connections between transition states and intermediates. It is found that the initial adduct Br2COO (Cs) is formed via a barrierless association in the1CBr2+3O2reaction, and then some isomerizations and breakages of bonds take place, generating P1(BrCO + BrO), P2(CO + Br2O), P3(CO2+ Br2) and P4(CO2+ 2Br). P3(CO2+ Br2) is the most competitive channel kinetically and thermodynamically. P4(CO2+ 2Br) is the least favorable one kinetically.

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