Reaction pathways by quantum Monte Carlo: Insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4769791
Reference78 articles.
1. Thermodynamic properties of 1,3-butadiene in the solid, liquid, and vapor states
2. Thermodynamic Properties of Gaseous 1,3‐Butadiene and the Normal Butenes above 25°C Equilibria in the System 1,3‐Butadiene,n‐Butenes, andn‐Butane
3. An Electron Diffraction Reinvestigation of the Molecular Structure of 1,3-Butadiene.
4. The Molecular Structure of 1,3-Butadiene and 1,3,5-trans-Hexatriene.
5. Average structures of butadiene, acrolein, and glyoxal determined by gas electron diffraction and spectroscopy
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