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Spectroscopic characterization of 1-[3-(1h-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations
| Title: | Spectroscopic characterization of 1-[3-(1h-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations | Authors: | War, Javeed Ahmad; Jalaja, K.; Mary, Y. Sheena; Panicker, C. Yohannan; Armaković, Stevan |
Issue Date: | 2017 | Publication: | Journal of Molecular Structure | ISSN: | 0022-2860 Journal of Molecular Structure Search Idenfier |
Type: | Article | Collation: | vol. 1129 str. 72-85 | DOI: | 10.1016/j.molstruc.2016.09.063 | WoS-ID: | 000389785400010 | Scopus-ID: | 2-s2.0-84988864298 | URI: | https://www.cris.uns.ac.rs/record.jsf?recordId=102054&source=eNauka&language=en https://enauka.gov.rs/handle/123456789/180447 |
Metadata source: | Migracija | M-category: | 22M22 |
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