Publication
Title
On the angular geometry of the 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
External links
Web of Science
Record
Identification
Creation 08.10.2008
Last edited 27.06.2017
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