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

17 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: sheena mary y. 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
Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-phenylprop-2-enoic anhydride based on density functional theory calculations.
Sheena Mary Y, Raju K, Panicker CY, Al-Saadi AA, Thiemann T, Van Alsenoy C. Sheena Mary Y, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jul 15;128:638-46. doi: 10.1016/j.saa.2014.02.194. Epub 2014 Mar 19. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24704480
Molecular structure, FT-IR, NBO, HOMO and LUMO, MEP and first order hyperpolarizability of (2E)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one by HF and density functional methods.
Sheena Mary Y, Yohannan Panicker C, Anto PL, Sapnakumari M, Narayana B, Sarojini BK. Sheena Mary Y, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jan 25;135:81-92. doi: 10.1016/j.saa.2014.06.140. Epub 2014 Jul 8. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25062053
Vibrational spectroscopic studies and molecular docking of 10,10-Dimethylanthrone.
Sheena Mary Y, Yamuna TS, Panicker CY, Yathirajan HS, Siddegowda MS, Al-Saadi AA, Van Alsenoy C, War JA. Sheena Mary Y, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jan 25;135:652-61. doi: 10.1016/j.saa.2014.07.079. Epub 2014 Aug 8. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25128678
Molecular structure, FT-IR, vibrational assignments, HOMO-LUMO, MEP, NBO analysis and molecular docking study of ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate.
Sheena Mary Y, Yohannan Panicker C, Sapnakumari M, Narayana B, Sarojini BK, Al-Saadi AA, Van Alsenoy C, War JA. Sheena Mary Y, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Mar 5;138:73-84. doi: 10.1016/j.saa.2014.11.012. Epub 2014 Nov 13. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25463053
A comparative study of structural and spectroscopic properties of three structurally similar mechanically bending organic single crystals - 2-Amino-3-nitro-5-halo (halo = Cl, Br, or I) pyridine.
Murthy Potla K, Parameshwar Adimule S, Poojith N, Osório FAP, Valverde C, Sheena Mary Y, Vankayalapati S. Murthy Potla K, et al. Among authors: sheena mary y. Spectrochim Acta A Mol Biomol Spectrosc. 2023 Dec 5;302:123093. doi: 10.1016/j.saa.2023.123093. Epub 2023 Jun 30. Spectrochim Acta A Mol Biomol Spectrosc. 2023. PMID: 37418906
17 results