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Vibrational spectroscopy and force field calculations in Si2F6

✍ Scribed by V. Tosa; S. Isomura; Y. Kuga; K. Takeuchi


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
716 KB
Volume
8
Category
Article
ISSN
0924-2031

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Consistent force field calculations on 2
✍ Susan Karplus; Shneior Lifson πŸ“‚ Article πŸ“… 1971 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 449 KB

The niiiiimirin eiiergy coiiforrnatioiia are calcu1at.ed for P,.i-diketopiperasiiie ( I )Kl' ) and its 3,Mimethyl derivatives (DL-DMDKP and LL-DMDKP), usiiig a coiisisteiil force field approach developed previously. The energy funct,ion parameters that were not required in earlier calculations 011 a