Article ID Journal Published Year Pages File Type
5383978 Chemical Physics Letters 2011 5 Pages PDF
Abstract
► Theoretical infrared spectra of ammonia-hydrogen halide complexes from CPMD. ► Experimental gas phase spectrum not yet reported. ► Proton stretching frequencies lower than previously reported. ► Important role of out of plane hydrogen bond bending in proton transfer.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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