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Title
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On the angular geometry of the Van der Waals complex in the gas phase and in liquefied noble gas solutions
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Author
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Abstract
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| 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. |
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Language
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English
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Source (journal)
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Theochem: applications of theoretical chemistry to organic, inorganic and biological problems. - Amsterdam, 1981 - 2010
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Publication
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Amsterdam
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1995
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ISSN
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0166-1280
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DOI
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10.1016/0166-1280(94)03956-L
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Volume/pages
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332
(1995)
, p. 231-240
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ISI
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A1995QT03500007
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Full text (Publisher's DOI)
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