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Items: 1 to 20 of 161

1.

Experimental and theoretical investigations of 4-chloro-N-(2-methoxyphenyl)benzamidoxime.

Kara YS, Sagdinc SG, Karadayı N.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jun;110:351-63. doi: 10.1016/j.saa.2013.03.035. Epub 2013 Mar 17.

PMID:
23583853
2.

X-ray crystallography characterization, vibrational spectroscopy, NMR spectra and quantum chemical DFT/HF study of N,N'-di(2-methoxyphenyl)formamidine.

Rofouei MK, Sohrabi N, Shamsipur M, Fereyduni E, Ayyappan S, Sundaraganesan N.

Spectrochim Acta A Mol Biomol Spectrosc. 2010 Jul;76(2):182-90. doi: 10.1016/j.saa.2010.03.009. Epub 2010 Mar 18.

PMID:
20409749
3.

The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO-LUMO analysis of monomeric and dimeric structures of 4-chloro-3,5-dinitrobenzoic acid.

Karabacak M, Sinha L, Prasad O, Cinar Z, Cinar M.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Jul;93:33-46. doi: 10.1016/j.saa.2012.02.110. Epub 2012 Mar 7.

PMID:
22465765
4.

FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.

Arivazhagan M, Anitha Rexalin D.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Oct;96:668-76. doi: 10.1016/j.saa.2012.07.040. Epub 2012 Jul 20.

PMID:
22885079
5.

FT-IR, FT-Raman, NMR and UV-vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid.

Karabacak M, Cinar Z, Kurt M, Sudha S, Sundaraganesan N.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Jan;85(1):179-89. doi: 10.1016/j.saa.2011.09.058. Epub 2011 Oct 5.

PMID:
22024454
6.

Experimental (13C NMR, 1H NMR, FT-IR, single-crystal X-ray diffraction) and DFT studies on 3,4-bis(isoproylamino)cyclobut-3-ene-1,2-dione.

Süleymanoğlu N, Ustabaş R, Alpaslan YB, Eyduran F, Ozyürek C, Iskeleli NO.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Dec;83(1):472-7. doi: 10.1016/j.saa.2011.08.068. Epub 2011 Sep 14.

PMID:
21963193
7.

Experimental and theoretical investigation of the molecular and electronic structure of 3-ethoxy-4-isopropylaminocyclobut-3-ene-1,2-dione.

Süleymanoğlu N, Ustabaş R, Alpaslan YB, Eyduran F, İskeleli NO.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Oct;96:35-41. doi: 10.1016/j.saa.2012.04.083. Epub 2012 Apr 26.

PMID:
22658995
8.

X-ray crystal structure, vibrational spectra and DFT calculations of 3-chloro-7-azaindole: a case of dual N-H⋯N hydrogen bonds in dimers.

Morzyk-Ociepa B, Dysz K, Turowska-Tyrk I, Michalska D.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt B:405-15. doi: 10.1016/j.saa.2014.09.050. Epub 2014 Sep 28.

PMID:
25315872
9.

NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of nicotinic acid N-oxide: A combined experimental and theoretical study.

Atac A, Karabacak M, Karaca C, Kose E.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Jan;85(1):145-54. doi: 10.1016/j.saa.2011.09.048. Epub 2011 Sep 29.

PMID:
22001008
10.

Structural, vibrational, electronic and NMR spectral analysis of 3-chloro-6-methoxypyridazine by DFT calculations.

Vijaya Chamundeeswari SP, James Jebaseelan Samuel E, Sundaraganesan N.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jun;110:36-45. doi: 10.1016/j.saa.2013.03.012. Epub 2013 Mar 14.

PMID:
23557772
11.

Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.

Govindarajan M, Karabacak M, Periandy S, Tanuja D.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Nov;97:231-45. doi: 10.1016/j.saa.2012.06.014. Epub 2012 Jun 15.

PMID:
22765942
12.

Quantum mechanical, spectroscopic studies (FT-IR, FT-Raman, NMR, UV) and normal coordinates analysis on 3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N'-sulfamoylpropanimidamide.

Muthu S, Uma Maheswari J, Sundius T.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 May;108:307-18. doi: 10.1016/j.saa.2013.02.022. Epub 2013 Feb 21.

PMID:
23507526
13.

Structural, vibrational, electronic and NMR spectral analysis of benzyl phenyl carbonate.

Mariappan G, Sundaraganesan N.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jun;110:169-78. doi: 10.1016/j.saa.2013.03.019. Epub 2013 Mar 14.

PMID:
23562746
14.

Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.

Karabacak M, Kose E, Atac A, Ali Cipiloglu M, Kurt M.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Nov;97:892-908. doi: 10.1016/j.saa.2012.07.077. Epub 2012 Jul 31.

PMID:
22902933
15.

Experimental (FT-IR, FT-Raman, NMR) and theoretical spectroscopic properties of intermolecular hydrogen bonded 1-acetyl-2-thiohydantoin polymorphs.

Sharma A, Gupta V, Tandon P, Rawat P, Maeda S, Kunimoto KK.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 May;90:141-51. doi: 10.1016/j.saa.2012.01.033. Epub 2012 Jan 26.

PMID:
22336046
16.
17.

Molecular structure and spectroscopic analysis of 1,4-Bis(1-methyl-2-benzimidazolyl)benzene; XRD, FT-IR, dispersive-Raman, NMR and DFT studies.

Eren B, Unal A.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Feb 15;103:222-31. doi: 10.1016/j.saa.2012.10.055. Epub 2012 Nov 7.

PMID:
23261617
18.

Molecular structure, spectroscopic (FT-IR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO and LUMO analysis of 4'-methylbiphenyl-2-carbonitrile.

Karabacak M, Yilan E.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Feb 15;87:273-85. doi: 10.1016/j.saa.2011.11.051. Epub 2011 Dec 4.

PMID:
22185952
19.

FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline.

Rani AU, Sundaraganesan N, Kurt M, Cinar M, Karabacak M.

Spectrochim Acta A Mol Biomol Spectrosc. 2010 May;75(5):1523-9. doi: 10.1016/j.saa.2010.02.010. Epub 2010 Feb 24.

PMID:
20299282
20.

Structural, antimicrobial and computational characterization of 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea.

Atiş M, Karipcin F, Sarıboğa B, Taş M, Çelik H.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Dec;98:290-301. doi: 10.1016/j.saa.2012.08.020. Epub 2012 Aug 20.

PMID:
22999164
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