✦ LIBER ✦

Ab initio calculations on the vibrational spectra of fluoromethanes

✍ Scribed by C.E. Blom; A. Müller

Publisher: Elsevier Science
Year: 1978
Tongue: English
Weight: 378 KB
Volume: 46
Category: Article
ISSN: 0022-2860
DOI: 10.1016/0022-2860(78)87131-2

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Vibrational spectra and ab initio calcul

Vibrational spectra and ab initio calculations on trichloromethanesulphenyl cyanide, CCl3SCN

✍ S. E. Ulic; F. Di Napoli; A. Hermann; H.-G. Mack; C. O. Della Védova 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 72 KB 👁 1 views

Vibrational and rotational spectra and a

Vibrational and rotational spectra and ab initio calculations of thiocyanatoethene

✍ J.A. Beukes; P. Klaeboe; H. Møllendal; C.J. Nielsen 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 322 KB

Possibilities and limitations of ab init

Possibilities and limitations of ab initio calculation of vibrational spectra

✍ Péter Pulay 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 761 KB

Vibrational and rotational spectra, conf

Vibrational and rotational spectra, conformations and ab initio calculations of thiocyanatoethene

✍ J. A. Beukes; P. Klaeboe; H. Møllendal; C. J. Nielsen 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 999 KB

## Abstract Infrared spectra of thiocyanatoethene in the 4000‐400 cm^−1^ region in the vapour and liquid states and of the amorphous and crystalline solids at low temperatures were obtained. Additional IR spectra of the compound were recorded when isolated in argon and nitrogen matrices at 5 K usin

Molecular structure and vibrational spec

Molecular structure and vibrational spectra of dithionite ion by ab initio calculations

✍ Jerzy Leszczynski; Michael C. Zerner 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 419 KB

The structure of the dithionite ion, S2 O:-, is examined using quantum chemical calculations. These studies strongly suggest that only the C2,, (trans) isomer is stable in solution. The CZv (cis) form reported in NazSZ0,.2Hz0 is stabilized by crystal forces. The calculated vibrational spectrum of th

Raman and infrared vibrational spectra,

Raman and infrared vibrational spectra, normal coordinate analysis and ab initio calculations of 1,1,2,2-tetrachlorodisilane and ab initio calculations of hexachlorodisilane

✍ Margot Ernst; Karla Schenzel; Anke Jähn; Wolfgang Köll; Karl Hassler 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 279 KB 👁 2 views

The infrared and Raman vibrational spectra of 1,1,2,2-tetrachlorodisilane and its (Cl -isotopomer were measured and assigned with the aid of normal coordinate analyses and also ab initio RHF Cl 2 DSiSiDCl 2 geometry optimizations and harmonic wavenumber calculations using the GAMESS quantum chemist