Comparison of ab initio HF/6-31G∗∗, HF/6-31 + + G∗∗ and MP2/6-31G∗∗ calculated infrared spectra of 4(3H)-pyrimidinone and 4-hydroxypyrimidine with matrix isolation spectra
Author:
Publisher
Elsevier BV
Subject
Spectroscopy
Reference14 articles.
1. Theoretical and matrix-isolation experimental study of the infrared spectra of 5-azauracil and 6-azauracil
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3. The infrared spectra of matrix isolated uracil and thymine: An assignment based on new theoretical calculations
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1. Disentangling the Complex Vibrational Spectra of Hydrogen-Bonded Clusters of 2-Pyridone with Ab Initio Structural Search and Anharmonic Analysis;The Journal of Physical Chemistry A;2021-05-17
2. Solid H2versus solid noble-gas environment: Influence on photoinduced hydrogen-atom transfer in matrix-isolated 4(3H)-pyrimidinone;The Journal of Chemical Physics;2017-03-07
3. An IR study of 4(3H)-Pyrimidinone in solution adsorbed on NaX, NaY and ZSM-5 zeolites;Optics and Spectroscopy;2015-01
4. Structural dynamics of 4-pyrimidone in lower-lying excited States;Journal of Raman Spectroscopy;2013-04-18
5. Analysis of the normal modes of molecules with D3h symmetry;Vibrational Spectroscopy;2009-01
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