Article ID Journal Published Year Pages File Type
1233036 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2012 8 Pages PDF
Abstract
► On the basis of agreement between the calculated and observed results, of fundamental vibrational modes of HNT. ► H-L energy gap explains the eventual charge transfer interactions taking place within the molecule. ► NLO first hyperpolarizabilities and the total dipole moment properties have been calculated. ► The results will be of assistance in the quest of the experimental and theoretical evidence for the title molecule.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Authors
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