Publication
Title
On the angular geometry of the $CH_{3}Cl.HCl$ Van der Waals complex in the gas phase and in liquefied noble gas solutions
Author
Abstract
 The equilibrium geometry, relative stability and vibrational frequencies of CH3Cl.HCl were calculated using MP2/6-31+G** ab initio calculations. The results are discussed in the light of the infrared spectroscopic study of CD3Cl/HCl mixtures, dissolved in liquefied noble gases. The influence of the solvents on the properties of the complex was investigated using the reaction field model, at the RHF/6-311+G** level.
Language
English
Source (journal)
Theochem: applications of theoretical chemistry to organic, inorganic and biological problems. - Amsterdam, 1981 - 2010
Publication
Amsterdam : 1995
ISSN
0166-1280
Volume/pages
332(1995), p. 231-240
ISI
A1995QT03500007
Full text (Publisher's DOI)
UAntwerpen
 Faculty/Department Research group Publication type Subject Affiliation Publications with a UAntwerp address