Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

1,537 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Molecular structure, FT-IR, vibrational assignments, HOMO-LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
Mary YS, Panicker CY, Sapnakumari M, Narayana B, Sarojini BK, Al-Saadi AA, Van Alsenoy C, War JA, Fun HK. Mary YS, et al. Among authors: fun hk. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt B:473-82. doi: 10.1016/j.saa.2014.09.060. Epub 2014 Sep 28. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25448948
Infrared spectrum, structural and optical properties and molecular docking study of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde.
Mary YS, Panicker CY, Sapnakumari M, Narayana B, Sarojini BK, Al-Saadi AA, Van Alsenoy C, War JA, Fun HK. Mary YS, et al. Among authors: fun hk. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Mar 5;138:529-38. doi: 10.1016/j.saa.2014.11.041. Epub 2014 Nov 28. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25528512
FT-IR, NBO, HOMO-LUMO, MEP analysis and molecular docking study of Methyl N-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino}[(methoxycarbonyl) imino]methyl)carbamate.
Panicker CY, Varghese HT, Narayana B, Divya K, Sarojini BK, War JA, Van Alsenoy C, Fun HK. Panicker CY, et al. Among authors: fun hk. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Sep 5;148:29-42. doi: 10.1016/j.saa.2015.03.064. Epub 2015 Mar 11. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25863457
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: fun hk. 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
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: fun hk. 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
Synthesis and crystal structures of N-substituted pyrazolines.
Loh WS, Quah CK, Chia TS, Fun HK, Sapnakumari M, Narayana B, Sarojini BK. Loh WS, et al. Among authors: fun hk. Molecules. 2013 Feb 20;18(2):2386-96. doi: 10.3390/molecules18022386. Molecules. 2013. PMID: 23429377 Free PMC article.
Synthesis, molecular structure, FT-IR, Raman, XRD and theoretical investigations of (2E)-1-(5-chlorothiophen-2-yl)-3-(naphthalen-2-yl)prop-2-en-1-one.
Chidan Kumar CS, Fun HK, Parlak C, Rhyman L, Ramasami P, Tursun M, Chandraju S, Quah CK. Chidan Kumar CS, et al. Among authors: fun hk. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Nov 11;132:174-82. doi: 10.1016/j.saa.2014.04.155. Epub 2014 May 6. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24858359
1,537 results