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Empirical force field calculations on methylammonium chloride and its deuterated derivatives. Part II

✍ Scribed by N. Meinander; T. Sundius


Book ID
119115725
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
934 KB
Volume
89
Category
Article
ISSN
0166-1280

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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