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Molecular structure, FT-IR, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate by HF and density functional methods.
Chidan Kumar CS, Panicker CY, Fun HK, Mary YS, Harikumar B, Chandraju S, Quah CK, Ooi CW. Chidan Kumar CS, et al. Among authors: ooi cw. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jul 15;128:327-36. doi: 10.1016/j.saa.2014.02.185. Epub 2014 Mar 12. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24691363
FT-IR, molecular structure, first order hyperpolarizability, HOMO and LUMO analysis, MEP and NBO analysis of 2-(4-chlorophenyl)-2-oxoethyl 3-nitrobenzoate.
Chidan Kumar CS, Panicker CY, Fun HK, Mary YS, Harikumar B, Chandraju S, Quah CK, Ooi CW. Chidan Kumar CS, et al. Among authors: ooi cw. Spectrochim Acta A Mol Biomol Spectrosc. 2014 May 21;126:208-19. doi: 10.1016/j.saa.2014.01.145. Epub 2014 Feb 12. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24607470
(Z)-N-[2-(N'-Hy-droxy-carbamimido-yl)phen-yl]acetamide.
Fun HK, Ooi CW, Dinesha, Viveka S, Nagaraja GK. Fun HK, et al. Among authors: ooi cw. Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o370-1. doi: 10.1107/S1600536813003371. Epub 2013 Feb 9. Acta Crystallogr Sect E Struct Rep Online. 2013. PMID: 23476559 Free PMC article.
1-[3-(4-Fluoro-phen-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
Fun HK, Ooi CW, Sapnakumari M, Narayana B, Sarojini BK. Fun HK, et al. Among authors: ooi cw. Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2634. doi: 10.1107/S1600536812033971. Epub 2012 Aug 4. Acta Crystallogr Sect E Struct Rep Online. 2012. PMID: 22969534 Free PMC article.
(Z)-3-Benzyl-2-[(2-phenyl-cyclo-hex-2-en-yl)imino]-1,3-thia-zolidin-4-one.
Ooi CW, Fun HK, Quah CK, Sathishkumar M, Ponnuswamy A. Ooi CW, et al. Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2563-4. doi: 10.1107/S1600536812033211. Epub 2012 Jul 28. Acta Crystallogr Sect E Struct Rep Online. 2012. PMID: 22904992 Free PMC article.
2-(4-Bromo-phen-yl)-N-(5-methyl-pyridin-2-yl)acetamide.
Fun HK, Ooi CW, Nayak PS, Narayana B, Sarojini BK. Fun HK, et al. Among authors: ooi cw. Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2526. doi: 10.1107/S1600536812032631. Epub 2012 Jul 25. Acta Crystallogr Sect E Struct Rep Online. 2012. PMID: 22904961 Free PMC article.
28 results