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How steric effects favor thiepins over their benzene sulfide tautomers at theoretical levels?
M. Z. Kassaee
, S. M. Musavi
, M. R. Momeni
,
F. A. Shakib
, M. Ghambarian
Research output
:
Contribution to journal
›
Article
›
peer-review
13
Scopus citations
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Keyphrases
Sulfide
100%
Benzene
100%
Steric Effect
100%
Tautomers
100%
Activation Energy
50%
Tert-butyl
50%
B3LYP
50%
High Energy
25%
Mirror Image
25%
Energy Barrier
25%
Energy Difference
25%
Equilibrium Constant
25%
G-levels
25%
Transition State
25%
Enthalpy Change
25%
Ab Initio MP2
25%
Aromaticity
25%
Antiaromaticity
25%
Energy Constant
25%
Valence tautomerism
25%
Chemistry
Tautomer
100%
Steric Effect
100%
Thiepin
100%
DFT-B3LYP Calculation
28%
Reaction Activation Energy
28%
Enthalpy
14%
Equilibrium Constant
14%
Energy Barrier
14%
Møller-Plesset Perturbation Theory
14%
Transition State
14%
Tautomerization
14%
Antiaromaticity
14%