𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations

✍ Scribed by Jidong Wang; Mingmin Ren; Shui Wang; Yixin Qu


Book ID
108261392
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
339 KB
Volume
78
Category
Article
ISSN
1386-1425

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Internal rotation and chlorine nuclear q
✍ D. Gerhard; A. Hellweg; I. Merke; W. Stahl; M. Baudelet; D. Petitprez; G. Wlodar πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 197 KB

The microwave spectrum of o-chlorotoluene has been reinvestigated using molecular beam Fourier transform microwave (MB-FTMW) spectrometers in the frequency range of 4-23 GHz. Due to the high resolution of this molecular beam technique the analysis yielded improved rotational constants, centrifugal d

Molecular structure and vibrational spec
✍ Jerzy Leszczynski; Michael C. Zerner πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 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