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Infra-red explorations of amino acid alanine experimentally and theoretically have been performed. The IR frequencies were calculated by semi-empirical methods (PM6 and RM1) and ab initio methods (B3LYP/6-31+G(d) and were scaled down by factors of 0.925 (RM1), 1.09 (PM6) and 0.89 (B3LYP/6-31+G(d)). The calculated and experimental vibrational frequencies have shown good general agreement.
Keywords:
Vibrational studies, Amino Acids, semi-empirical methods (PM6 and RM1), ab initio methods (B3LYP/6-31+G(d).
Cite Article:
"EXPERIMENTAL AND THEORETICAL INFRA-RED SPECTRAL STUDY OF AMINO ACID ALANINE", International Journal for Research Trends and Innovation (www.ijrti.org), ISSN:2455-2631, Vol.7, Issue 9, page no.315 - 318, September-2022, Available :http://www.ijrti.org/papers/IJRTI2209042.pdf
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ISSN:
2456-3315 | IMPACT FACTOR: 8.14 Calculated By Google Scholar| ESTD YEAR: 2016
An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 8.14 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator