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

115 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Spectroscopic (FT-IR, FT-Raman) investigations and quantum chemical calculations of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-{3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione.
Renjith R, Sheena Mary Y, Yohannan Panicker C, Varghese HT, Pakosińska-Parys M, Van Alsenoy C, Al-Saadi AA. Renjith R, et al. Among authors: van alsenoy c. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Aug 14;129:438-50. doi: 10.1016/j.saa.2014.03.077. Epub 2014 Apr 1. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24747931
Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione by density functional methods.
Renjith R, Mary YS, Panicker CY, Varghese HT, Pakosińska-Parys M, Van Alsenoy C, Manojkumar TK. Renjith R, et al. Among authors: van alsenoy c. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Apr 24;124:500-13. doi: 10.1016/j.saa.2014.01.045. Epub 2014 Jan 21. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24508888
FT-IR, molecular structure, HOMO-LUMO, MEP, NBO analysis and first order hyperpolarizability of Methyl 4,4″-difluoro-5'-methoxy-1,1':3',1″-terphenyl-4'-carboxylate.
Sheena Mary Y, Yohannan Panicker C, Narayana B, Samshuddin S, Sarojini BK, Van Alsenoy C. Sheena Mary Y, et al. Among authors: van alsenoy c. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:480-8. doi: 10.1016/j.saa.2014.06.031. Epub 2014 Jun 13. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24973789
FT-IR, molecular structure, first order hyperpolarizability, MEP, HOMO and LUMO analysis and NBO analysis of 4-[(3-acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid.
Raju R, Panicker CY, Nayak PS, Narayana B, Sarojini BK, Van Alsenoy C, Al-Saadi AA. Raju R, et al. Among authors: van alsenoy c. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jan 5;134:63-72. doi: 10.1016/j.saa.2014.06.051. Epub 2014 Jun 25. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25004897
Synthesis, structural and vibrational investigation on 2-phenyl-N-(pyrazin-2-yl)acetamide combining XRD diffraction, FT-IR and NMR spectroscopies with DFT calculations.
Lukose J, Yohannan Panicker C, Nayak PS, Narayana B, Sarojini BK, Van Alsenoy C, Al-Saadi AA. Lukose J, et al. Among authors: van alsenoy c. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jan 25;135:608-16. doi: 10.1016/j.saa.2014.07.004. Epub 2014 Jul 11. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25124846
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: van alsenoy c. 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
Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 2-(4-hydroxyphenyl)-4,5-dimethyl-1H-imidazole 3-oxide.
Benzon KB, Varghese HT, Panicker CY, Pradhan K, Tiwary BK, Nanda AK, Van Alsenoy C. Benzon KB, et al. Among authors: van alsenoy c. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jul 5;146:307-22. doi: 10.1016/j.saa.2015.03.063. Epub 2015 Mar 10. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25819320
Infrared spectrum, NBO, HOMO-LUMO, MEP and molecular docking studies (2E)-3-(3-nitrophenyl)-1-[4-piperidin-1-yl]prop-2-en-1-one.
Panicker CY, Varghese HT, Nayak PS, Narayana B, Sarojini BK, Fun HK, War JA, Srivastava SK, Van Alsenoy C. Panicker CY, et al. Among authors: van alsenoy c. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Sep 5;148:18-28. doi: 10.1016/j.saa.2015.03.065. Epub 2015 Mar 10. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25863456
115 results