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Theoretical prediction of elastic constants of mixed systems

✍ Scribed by A. K. Giri; G. B. Mitra


Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
213 KB
Volume
134
Category
Article
ISSN
0370-1972

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Theoretical prediction of spectroscopic
✍ GyΓΆrgy Tarczay; Sandhya Gopalakrishnan; Terry A. Miller πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 232 KB

Spectroscopic constants for the conformers of the 1-alkoxy radicals were computed by ab initio and density functional methods. These parameters include ground and excited state rotational constants, harmonic frequencies, and Γƒ A-X X and B B-X X excitation energies. Elements of the electronic spin-mo