Geometries and rotation barriers of 2-methyl-1,3-butadiene and of 2,3-dimethyl-1,3-butadiene by ab initio gradient calculation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference23 articles.
1. The Electron Diffraction Investigation of the Structure of Benzene, Pyridine, Pyrazine, Butadiene-1,3, Cyclopentadiene, Furan, Pyrrole, and Thiophene
2. An Electron Diffraction Reinvestigation of the Molecular Structure of 1,3-Butadiene.
3. Microwave Studies of Butadiene Derivatives. II. Isoprene
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2. Conformational Thermodynamic and Kinetic Parameters of Methyl-Substituted 1,3-Butadienes;The Journal of Organic Chemistry;2005-07-20
3. Ab initio study on the internal rotation of five ?-conjugated hydrocarbons at MP2 level;International Journal of Quantum Chemistry;1998
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