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Results: 1 to 20 of 94

Similar articles for PubMed (Select 24015670)

1.

Keto-enol tautomerism and conformational landscape of 1,3-cyclohexanedione from its free jet millimeter-wave absorption spectrum.

Calabrese C, Maris A, Evangelisti L, Favero LB, Melandri S, Caminati W.

J Phys Chem A. 2013 Dec 19;117(50):13712-8. doi: 10.1021/jp4078097. Epub 2013 Sep 26.

PMID:
24015670
2.

CH···O interaction lowers hydrogen transfer barrier to keto-enol tautomerization of β-cyclohexanedione: combined infrared spectroscopic and electronic structure calculation study.

Bandyopadhyay B, Pandey P, Banerjee P, Samanta AK, Chakraborty T.

J Phys Chem A. 2012 Apr 19;116(15):3836-45. doi: 10.1021/jp2108736. Epub 2012 Apr 6.

PMID:
22439915
3.

The catalytic effect of water on the keto-enol tautomerism. Pyruvate and acetylacetone: a computational challenge.

Alagona G, Ghio C, Nagy PI.

Phys Chem Chem Phys. 2010 Sep 21;12(35):10173-88. doi: 10.1039/c003999c. Epub 2010 Aug 2.

PMID:
20676455
4.

High resolution millimeter-wave spectroscopy of cyclopropylphosphine-borane.

Motiyenko RA, Margulès L, Guillemin JC.

J Phys Chem A. 2012 Feb 16;116(6):1565-70. doi: 10.1021/jp211611t. Epub 2012 Feb 6.

PMID:
22239159
5.

The effect of the water on the curcumin tautomerism: a quantitative approach.

Manolova Y, Deneva V, Antonov L, Drakalska E, Momekova D, Lambov N.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Nov 11;132:815-20. doi: 10.1016/j.saa.2014.05.096. Epub 2014 Jun 11.

PMID:
24973669
6.

An ab initio study of electronic structure and spectra of 8-bromoguanine: a comparative study with guanine.

Mishra SK, Mishra PC.

Spectrochim Acta A Mol Biomol Spectrosc. 2001 Oct;57(12):2433-50.

PMID:
11767837
7.

Keto-enol tautomerism of phenindione and its derivatives: an NMR and density functional theory (DFT) reinvestigation.

Sigalov MV.

J Phys Chem A. 2015 Feb 26;119(8):1404-14. doi: 10.1021/jp512461c. Epub 2015 Feb 11.

PMID:
25629727
8.

Conformational equilibrium and potential energy surface of 1-fluorobutane by microwave spectroscopy and Ab initio calculations

Favero LB, Maris A, Esposti AD, Favero PG, Caminati W, Pawelke G.

Chemistry. 2000 Aug 18;6(16):3018-25.

PMID:
10993262
9.

The keto/enol tautomerism in acetoacetyl fluoride: properties, spectroscopy, and gas-phase and crystal structures of the enol form.

Belova NV, Oberhammer H, Zeng X, Gerken M, Willner H, Berger RJ, Hayes SA, Mitzel NW.

Phys Chem Chem Phys. 2010 Oct 7;12(37):11445-53. doi: 10.1039/c002743j. Epub 2010 Aug 3.

PMID:
20683513
10.

Higher energy states in the CO dimer: millimeter-wave spectra and rovibrational calculations.

Surin LA, Fourzikov DN, Giesen TF, Schlemmer S, Winnewisser G, Panfilov VA, Dumesh BS, Vissers GW, van der Avoird A.

J Phys Chem A. 2007 Dec 13;111(49):12238-47. Epub 2007 Sep 8.

PMID:
17824677
11.

Millimeter-Wave Absorption Free Jet Spectrum, Barriers to Internal Rotation, and Torsional Relaxation in p-Anisaldehyde

Melandri S, Maris A, Favero PG, Favero LB, Caminati W, Meyer R.

J Mol Spectrosc. 1997 Oct;185(2):374-83.

PMID:
9398575
12.

Millimeter-Wave Free Jet Absorption Spectrum of SD Methylthioglycolate: Description of the SH Torsion Double Minimum Potential

Maccaferri G, Caminati W, Favero PG, Fantoni AC.

J Mol Spectrosc. 1997 Nov;186(1):171-6.

PMID:
9417961
13.

Molecular structures, FT-IR and FT-Raman spectra, NBO analysis, NLO properties, reactive sites and quantum chemical calculations of keto-enol tautomerism (2-amino-4-pyrimidinol and 2-amino-pyrimidine-4(1H)-one).

Balachandran V, Parimala K.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Feb;102:30-51. doi: 10.1016/j.saa.2012.10.011. Epub 2012 Oct 22.

PMID:
23220518
14.

Conformational landscape of diisopropyl ketone: quantum chemical calculations validated by microwave spectroscopy.

Zhao Y, Mouhib H, Stahl W.

J Phys Chem A. 2013 Jan 17;117(2):311-4. doi: 10.1021/jp308943t. Epub 2012 Dec 5.

PMID:
23181488
15.

Microwave spectrum and conformational composition of 1-vinylimidazole.

Samdal S, Møllendal H.

J Phys Chem A. 2011 Jul 7;115(26):7559-65. doi: 10.1021/jp202319q. Epub 2011 Jun 7.

PMID:
21648385
16.
17.

A study of the conformational stability and the vibrational spectra of 2,3-dichloro-1-propanol.

Badawi HM, Ali SA.

Spectrochim Acta A Mol Biomol Spectrosc. 2010 Feb;75(2):734-8. doi: 10.1016/j.saa.2009.11.047. Epub 2009 Nov 24.

PMID:
20022293
18.

Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine.

Srivastava SK, Singh VB.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Nov;115:45-50. doi: 10.1016/j.saa.2013.06.005. Epub 2013 Jun 15.

PMID:
23831977
19.

Microwave Spectrum and Molecular Conformation of delta-Valerolactam.

Kuze N, Funahashi H, Ogawa M, Tajiri H, Ohta Y, Usami T, Sakaizumi T, Ohashi O.

J Mol Spectrosc. 1999 Dec;198(2):381-386.

PMID:
10547320
20.

Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine.

Tomić K, Tatchen J, Marian CM.

J Phys Chem A. 2005 Sep 22;109(37):8410-8.

PMID:
16834234
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