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Items: 1 to 20 of 92

1.

Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline N-oxide dihydrate.

Moreno-Fuquen R, Hernandez G, Kennedy AR, Morrison CA.

Acta Crystallogr C. 2013 Jun;69(Pt 6):665-70. doi: 10.1107/S0108270113011979. Epub 2013 May 17.

PMID:
23744392
2.

Hydrogen bonding in quinolinium-4-carboxylate dihydrate.

Dobson AJ, Gerkin RE.

Acta Crystallogr C. 1999 Jun 15;55 ( Pt 6):935-7.

PMID:
10408087
3.

Combined experimental and theoretical studies on the vibrational spectra of 2-quinolinecarboxaldehyde.

Küçük V, Altun A, Kumru M.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Jan;85(1):92-8. doi: 10.1016/j.saa.2011.09.026. Epub 2011 Sep 17.

PMID:
22000203
4.

Comparison of crystal structure and theory for 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine.

Parkin S, Marsch GA, Hope H, Whitney E, Winter NW, Colvin ME, Felton JS, Turteltaub KW.

Chem Res Toxicol. 1996 Apr-May;9(3):574-9.

PMID:
8728500
5.

Theoretical and experimental studies on the vibrational spectra of 3-quinolinecarboxaldehyde.

Kumru M, Küçük V, Bardakçı T.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 May;90:28-34. doi: 10.1016/j.saa.2012.01.009. Epub 2012 Jan 12.

PMID:
22306447
6.

The molecular structure and vibrational spectra of 3-acetyl-4-[N-(2'-aminopyridinyl)-3-amino]-3-buten-2-one by Hartree-Fock and density functional theory calculations.

Feki H, Fourati N, Abid Y, Minot C.

Spectrochim Acta A Mol Biomol Spectrosc. 2007 Aug;67(5):1201-5. Epub 2006 Oct 13.

PMID:
17113822
7.

Theoretical studies of molecular structure and vibrational spectra of melaminium citrate.

Atalay Y, Avci D.

Spectrochim Acta A Mol Biomol Spectrosc. 2007 Jun;67(2):327-33. Epub 2006 Sep 11.

PMID:
16965934
10.

The molecular structure and vibrational spectra of 2-chloro-N-(diethylcarbamothioyl)benzamide by Hartree-Fock and density functional methods.

Arslan H, Flörke U, Külcü N, Binzet G.

Spectrochim Acta A Mol Biomol Spectrosc. 2007 Dec 31;68(5):1347-55. Epub 2007 Feb 24.

PMID:
17418631
12.

Water-mediated intermolecular interactions in 1,2-O-cyclohexylidene-myo-inositol: a quantitative analysis.

Purushothaman G, Juvale K, Kirubakaran S, Vemula PK, Thiruvenkatam V.

Acta Crystallogr C Struct Chem. 2017 Jan 1;73(Pt 1):20-27. doi: 10.1107/S2053229616018581. Epub 2017 Jan 1.

PMID:
28035098
13.

The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods.

Atalay Y, Yakuphanoglu F, Sekerci M.

Spectrochim Acta A Mol Biomol Spectrosc. 2006 Nov;65(3-4):964-8. Epub 2006 May 8.

PMID:
16682250
14.

Experimental and theoretical study of o-substituent effect on the fluorescence of 8-hydroxyquinoline.

Zayed ME, El-Shishtawy RM, Elroby SA, Obaid AY, Al-amshany ZM.

Int J Mol Sci. 2015 Feb 10;16(2):3804-19. doi: 10.3390/ijms16023804.

15.

Role of the substituent effect over the squarate oxocarbonic ring: spectroscopy, crystal structure, and density functional theory calculations of 1,2-dianilinosquairane.

Silva CE, Dos Santos HF, Speziali NL, Diniz R, de Oliveira LF.

J Phys Chem A. 2010 Sep 23;114(37):10097-109. doi: 10.1021/jp105346h.

PMID:
20735014
16.

FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study.

Ramalingam S, Periandy S, Govindarajan M, Mohan S.

Spectrochim Acta A Mol Biomol Spectrosc. 2010 May;75(5):1552-8. doi: 10.1016/j.saa.2010.02.015. Epub 2010 Feb 23.

PMID:
20227335
17.

Two new metastable forms of 6-chloroquinolin-2(1H)-one: crystal structure, Hirshfeld surfaces and spectroscopic studies.

Luo YH, Sun BW.

Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:381-8. doi: 10.1016/j.saa.2013.10.036. Epub 2013 Oct 21.

PMID:
24211619
18.

Determination of structural and vibrational properties of 6-quinolinecarboxaldehyde using FT-IR, FT-Raman and dispersive-Raman experimental techniques and theoretical HF and DFT (B3LYP) methods.

Kumru M, Küçük V, Kocademir M.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Oct;96:242-51. doi: 10.1016/j.saa.2012.05.001. Epub 2012 May 22.

PMID:
22683559
19.

Quantum-chemical, spectroscopic and X-ray diffraction studies of (E)-2-[(2-Bromophenyl)iminomethyl]-4-trifluoromethoxyphenol.

Tanak H, Ağar AA, Büyükgüngör O.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Feb 15;87:15-24. doi: 10.1016/j.saa.2011.10.055. Epub 2011 Nov 17.

PMID:
22154260
20.

Density functional theory study on the structure and vibrational frequencies of glycylglycine.

Zhao B, Wang C, Zhao S, Qin M, Zhou Z, Sun Y.

Spectrochim Acta A Mol Biomol Spectrosc. 2008 Jul;70(2):301-6. Epub 2007 Aug 19.

PMID:
17919969

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