𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ground state vibrational spectra of cysteine and serine hydrochlorides: A theoretical prediction

✍ Scribed by D. Chakraborty; S. Manogaran

Book ID
114142563
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
819 KB
Volume
422
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Theoretical prediction of vibrational sp
Theoretical prediction of vibrational spectra. The a priori scaled quantum mechanical (SQM) force field and vibrational spectra of pyrimidine
✍ GΓ‘bor Pongor; GΓ©za Fogarasi; IldikΓ³ MagdΓ³; James E. Boggs; GΓ‘bor Keresztury; Igo πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 797 KB

The complete harmonic force field of pyrimidine has been computed at the ab initio Hartree-Fock level using a 4-21 Gaussian basis set. In order to compensate the systematic overestimations of the force constants at the aforementioned level of quantum mechanical approximation, the theoretical force c