Transition-state structures for the reaction between styrene andtbutyl cyanoketene: Theoretical evidence for antarafacial characteristics in a ?2 + ?2 thermal cycloaddition
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
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4. Structure of transition states. Are they symmetric
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1. Geometrical Preferences in Bis(dithiocarbamato)tin(IV) Complexes: X-Ray Structure of cis-I2Sn[S2CN(C2H5)2]2 and Theoretical Investigations;Journal of Chemical Research;1999
2. Theoretical investigation on the reactivity of sulfur-centered heterocumulenes as dienophiles in Diels-Alder reactions and endo-lone-pair effect;International Journal of Quantum Chemistry;1998
3. Substituent Effects on Site Selectivity (CC vs CN) in Heterocumulene−Heterodiene [4 + 2] Cycloadditions: Density Functional and Semiempirical AM1 Molecular Orbital Calculations;The Journal of Organic Chemistry;1997-11-01
4. Mechanism of rearrangement reactions of ketenimine–4-acylfuran-2,3-dione cycloadducts—a semiempirical molecular orbital study;J. Chem. Soc., Perkin Trans. 2;1995
5. Theoretical analysis of the role of the solvent on the reaction mechanisms: One-step versus two-step ketene-imine cycloaddition;Journal of Computational Chemistry;1994-05
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