scholarly journals Quantum-dynamical characterization of reactive transition states

1991 ◽  
Vol 91 ◽  
pp. 289 ◽  
Author(s):  
David C. Chatfield ◽  
Ronald S. Friedman ◽  
Donald G. Truhlar ◽  
David W. Schwenke
Keyword(s):  
Transition States ◽  
Quantum Dynamical

scholarly journals Spectroscopic characterization of isomerization transition states

Science ◽  
2015 ◽  
Vol 350 (6266) ◽  
pp. 1338-1342 ◽  
Author(s):  
J. H. Baraban ◽  
P. B. Changala ◽  
G. C. Mellau ◽  
J. F. Stanton ◽  
A. J. Merer ◽  
...  
Keyword(s):  
Transition States ◽  
Spectroscopic Characterization

Innenrücktitelbild: Characterization of the Reaction Path and Transition States for RNA Transphosphorylation Models from Theory and Experiment (Angew. Chem. 3/2012)

2011 ◽  
Vol 124 (3) ◽  
pp. 847-847
Author(s):  
Kin-Yiu Wong ◽  
Hong Gu ◽  
Shuming Zhang ◽  
Joseph A. Piccirilli ◽  
Michael E. Harris ◽  
...  
Keyword(s):  
Reaction Path ◽  
Transition States ◽  
Theory And Experiment

Topological aspects of chemical reactivity. On the possible use of similarity index in characterizing the transition state structure in concerted pericyclic reactions

1987 ◽  
Vol 52 (6) ◽  
pp. 1375-1385
Author(s):  
Robert Ponec
Keyword(s):  
Transition State ◽  
Chemical Reactivity ◽  
Transition States ◽  
Similarity Index ◽  
Pericyclic Reactions ◽  
State Structure ◽  
Transition State Structure ◽  
Topological Similarity

The use of the topological similarity index as a simple means for classification and characterization of the structure of the transition states in concerted pericyclic reactions is discussed. The suggested formulation makes it possible to bring a quantitative aspects into the empirical Dewar's classification of transition states in terms of aromaticity and/or antiaromaticity.

SPECTROSCOPIC CHARACTERIZATION OF ISOMERIZATION TRANSITION STATES

2016 ◽  
Author(s):  
Joshua Baraban ◽  
Robert Field ◽  
Anthony Merer ◽  
John Stanton ◽  
Georg Mellau ◽  
...  
Keyword(s):  
Transition States ◽  
Spectroscopic Characterization

scholarly journals Characterization of the Reaction Path and Transition States for RNA Transphosphorylation Models from Theory and Experiment

2011 ◽  
Vol 51 (3) ◽  
pp. 647-651 ◽  
Author(s):  
Kin-Yiu Wong ◽  
Hong Gu ◽  
Shuming Zhang ◽  
Joseph A. Piccirilli ◽  
Michael E. Harris ◽  
...  
Keyword(s):  
Reaction Path ◽  
Transition States ◽  
Theory And Experiment
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