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The molecular structure, conformation and vibrational amplitudes of 1,5-hexadiyne (bipropargyl) in the vapour phase

โœ Scribed by M. Traetteberg; P. Bakken; R. Seip; S.J. Cyvin; B.N. Cyvin; H. Hopf

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
504 KB
Volume
51
Category
Article
ISSN
0022-2860

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On the applicability of the MINDO/3 meth
On the applicability of the MINDO/3 method in studies of molecular structures in the vapor phase. Geometries, conformational energies, and vibrational amplitudes of alkenes and chloroalkanes
โœ D. Van Hemelrijk; W. Versichel; C. Van Alsenoy; H. J. Geise ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 584 KB

## Abstract The geometries and force fields of the different conformers of five alkenes and five chloroalkanes (17 conformers in total) were calculated in the MINDO/3 approximation and compared with the corresponding experimental values. The direct use of geometrical or vibrational parameters deriv