Author:
Politzer Peter,Kirschenheuter Gary P.,Miller Richard S.
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Cited by
14 articles.
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1. Vibrational spectroscopic signatures, effect of rehybridization and hyperconjugation on the dimer molecule of N–(4–chlorophenyl)–2–[(4,6–di–aminopyrimidin–2–yl)sulfanyl]acetamide- quantum computational approach;Spectroscopy Letters;2022-07-13
2. Quantum chemical insight into molecular structure, NBO analysis of the hydrogen-bonded interactions, spectroscopic (FT–IR, FT–Raman), drug likeness and molecular docking of the novel anti COVID-19 molecule 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide - dimer;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2021-01
3. Spectroscopic (FT-IR, FT-Raman and UV–Visible) investigations, NMR chemical shielding anisotropy (CSA) parameters of 2,6-Diamino-4-chloropyrimidine for dye sensitized solar cells using density functional theory;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2015-02
4. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2009-08
5. Influence of methoxy- and nitro-substitutions in the aromatic ring on proton donation ability in hydrogen bond and on the amino group parameters of free and H-bonded molecules of 2-aminopyrimidine;Journal of Molecular Structure;2008-06