𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the force field and vibrational assignments of acetamide and deuterated analogues

✍ Scribed by Yoshiyuki Hase


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
803 KB
Volume
51
Category
Article
ISSN
1386-1425

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Transient resonance Raman spectra and vi
✍ Hiro-o Hamaguchi; Taeko Urano; Mitsuo Tasumi πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 316 KB

## Raman spectra of St tnns-stilbcnc and its deutcrotcd nnalogucs were obscrvcd. Assignments of the three olcfinic vihrations have been made on the basis of the isotopic Crcquency shifts. The St Raman spectrn arc intcrpretcd according to the newly cstablishcd vibrational assignments, which arc dif

Theoretical studies of force fields and
✍ Guosen Yan; Ying Xue; Daiqian Xie πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 355 KB πŸ‘ 1 views

The optimized geometries, complete harmonic force fields, and infrared ## Ž . intensities of isocytosine tautomers, amino-hydroxy and amino-oxoN 1 H, were calculated at the ab initio Hartree᎐Fock level using the 6-31G\* basis set. The theoretical force fields were scaled by empirical scale factor

Vibrational assignment and structure of
✍ S.F. Tayyari; J.S. Emampour; M. Vakili; A.R. Nekoei; H. Eshghi; S. Salemi; M. Ha πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 251 KB

Molecular structure and vibrational frequencies of benzoylacetone (BA) have been investigated by means of density functional theory (DFT) calculations. In addition, the geometry of the cis-and trans-enol conformers were also optimized at MP2/6-31G\*\* level of theory. The results were compared with