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 Herrebout, W.A. van der Veken, B.J. Durig, J.R. Faculty/Department Faculty of Sciences. Chemistry Publication type article Publication 1995 Amsterdam , 1995 Subject Chemistry Source (journal) Theochem: applications of theoretical chemistry to organic, inorganic and biological problems. - Amsterdam, 1981 - 2010 Volume/pages 332(1995) , p. 231-240 ISSN 0166-1280 ISI A1995QT03500007 Carrier E Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp 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. E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1995QT03500007&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1995QT03500007&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1995QT03500007&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle