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Items: 1 to 20 of 125

1.

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.

PMID:
22439915
2.
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5.

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.

PMID:
20683513
6.
7.

2-Pyridinethiol/2-pyridinethione tautomeric equilibrium. A comparative experimental and computational study.

Moran D, Sukcharoenphon K, Puchta R, Schaefer HF 3rd, Schleyer PV, Hoff CD.

J Org Chem. 2002 Dec 13;67(25):9061-9.

PMID:
12467429
8.

Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study.

Shukla MK, Leszczynski J.

J Phys Chem A. 2005 Sep 1;109(34):7775-80.

PMID:
16834154
9.

Methane to methanol conversion induced by thorium oxide through the CH3Th(O)H intermediate in solid argon.

Gong Y, Andrews L, Jackson VE, Dixon DA.

Inorg Chem. 2012 Oct 15;51(20):11055-60. doi: 10.1021/ic301595h.

PMID:
23002994
10.

Keto-enol tautomerization and intermolecular proton transfer in photoionized cyclopentanone dimer in the gas phase.

Ghosh AK, Chatterjee P, Chakraborty T.

J Chem Phys. 2014 Jul 28;141(4):044303. doi: 10.1063/1.4890501.

PMID:
25084906
11.

On the keto-enol tautomerization of malonaldehyde: an effective fragment potential study.

Freitag MA, Pruden TL, Moody DR, Parker JT, Fallet M.

J Phys Chem A. 2007 Mar 8;111(9):1659-66.

PMID:
17298039
12.

Calculation of vibrational spectra of linear tetrapyrroles. 3. Hydrogen-bonded hexamethylpyrromethene dimers.

Mroginski MA, Németh K, Bauschlicher T, Klotzbücher W, Goddard R, Heinemann O, Hildebrandt P, Mark F.

J Phys Chem A. 2005 Mar 17;109(10):2139-50.

PMID:
16838985
13.

12-hydroxy-1-azaperylene-limiting case of the ESIPT system: enol-keto tautomerization in S0 and S1 states.

Deperasińska I, Gryko DT, Karpiuk E, Kozankiewicz B, Makarewicz A, Piechowska J.

J Phys Chem A. 2012 Mar 8;116(9):2109-16. doi: 10.1021/jp2103353.

PMID:
22315991
14.

Infrared spectrum of the propargyl peroxyl radical, HC[triple bond]C-CH2OO X 2A''.

Jochnowitz EB, Zhang X, Nimlos MR, Flowers BA, Stanton JF, Ellison GB.

J Phys Chem A. 2010 Jan 28;114(3):1498-507. doi: 10.1021/jp907806g.

PMID:
20039710
15.
16.

Formamide tautomerization: catalytic role of formic acid.

Hazra MK, Chakraborty T.

J Phys Chem A. 2005 Aug 25;109(33):7621-5.

PMID:
16834133
17.
19.

Electronic transitions of guanine tautomers, their stacked dimers, trimers and sodium complexes.

Kushwaha PS, Kumar A, Mishra PC.

Spectrochim Acta A Mol Biomol Spectrosc. 2004 Feb;60(3):719-28.

PMID:
14747099
20.

Structure and Photochemistry of N-Salicylidene-p-carboxyaniline Isolated in Solid Argon.

Avadanei M, Kuş N, Cozan V, Fausto R.

J Phys Chem A. 2015 Aug 27;119(34):9121-32. doi: 10.1021/acs.jpca.5b06516.

PMID:
26273723
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