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A theoretical study on 2-chloro-5-(2-hydroxyethyl)-4-methoxy-6-methylpyrimidine by DFT/ab initio calculations

Materials Science-Poland
Volume 33 (2015): Issue 2 (June 2015)
By:
Open Access
|Jul 2015

References

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DOI: https://doi.org/10.1515/msp-2015-0039 | Journal eISSN: 2083-134X | Journal ISSN: 2083-1331
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Language: English
Page range: 369 - 380
Submitted on: Oct 21, 2014
Accepted on: Jan 14, 2015
Published on: Jul 11, 2015
Published by: Wroclaw University of Science and Technology
In partnership with: Paradigm Publishing Services
Publication frequency: 4 issues per year
Keywords:
2-chloro-5-(2-hydroxyethyl)-4-methoxy-6-methylpyrimidine,
HF and DFT,
NMR,
NBO,
NLO
Related subjects:
Materials sciences,
Materials sciences, other,
Nanomaterials,
Functional and smart materials,
Materials characterization and properties

© 2015 Hacer Pir Gümüs, Davut Avci, Yusuf Atalay, Ömer Tamer, published by Wroclaw University of Science and Technology
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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