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Abstract
In this pape, we present the calculations for vibrational frequencies of calcium oxalate - the most common composition of human urinary calculi. Based on the ab initio SCF calculations using 3-216 basic set performed with the Gaussian 98 program, the frequencies have been assigned where calcium oxalate is considered as a molecule. The influence of hydrate on its structure is also given. The structure of the molecule in this case has been demonstrated and discussed.
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Article Details
Issue: Vol 6 No 9&10 (2003)
Page No.: 105-111
Published: Oct 31, 2003
Section: Article
DOI: https://doi.org/10.32508/stdj.v6i9&10.3367
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Copyright: The Authors. This is an open access article distributed under the terms of the Creative Commons Attribution License CC-BY 4.0., which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
How to Cite
Thanh Dat, H., & The Quyen, N. (2003). CALCIUM OXALATE ANALYSIS OF HUMAN URINARY CALCULI BY FT-RAMAN SPECTROSCOPY AND THE AB INITIO CALCULATIONS. VNUHCM Journal of Science and Technology Development, 6(9&10), 105-111. https://doi.org/https://doi.org/10.32508/stdj.v6i9&10.3367
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