Results 11 to 20 of about 7,719 (255)
Formaldehyde Oxime ⇌ Nitrosomethane Tautomerism. [PDF]
The Journal of Organic Chemistry, 2001 Formaldehyde oxime nitrosomethane tautomerism, isomeric nitrone, and their common cations and anions are studied with Gaussian-2 theory using MP2(full)/6-31G geometries and with density functional theory using B3LYP/6-311+G**. Geometrical parameters, harmonic vibrational frequencies, relative stabilities, conformational stabilities, and ionization ...
Long, J.A., Harris, N.J., Lammertsma, K.
openaire +3 more sources
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses
, 2020 We report a database of tautomeric structures that contains 2819 tautomeric tuples extracted from 171 publications. Each tautomeric entry has been annotated with experimental conditions reported in the respective publication, plus bibliographic details ...
Devendra K. Dhaked (1859779) +2 more
core +5 more sources
The structure of the agrochemical fungicidal 4-Chloro-3-(3,5-dichloropheny)-1H-pyrazole, RPA 406194 and related compounds [PDF]
, 2003 The difficulties to obtain convenient monocrystals of the important fungicide RPA 406194 have been overcome by a combination of solid state 13C NMR, X-ray powder diffraction and molecular modeling.
Elguero, José +9 more
core +1 more source
A Spectroscopic Study on Tautomerism of Selaginellins from Selaginella
Chinese Journal of Magnetic Resonance, 2019 Ultraviolet-visible and nuclear magnetic resonance (NMR) spectroscopy was used to investigate the effects of pH, solvent and temperature on the tautomeric equilibrium of selaginellins from Selaginella.
CAO Yuan, WU Yong-ping, CHEN Dong-jun
doaj +1 more source
On Integral INICS Aromaticity of Pyridodiazepine Constitutional Isomers and Tautomers
Molecules, 2023 The structure, energetics, and aromaticity of c.a. 100 constitutional isomers and tautomers of pyrido[m,n]diazepines (m = 1, 2; n = 2, 3, 4, 5; m ≠ n) were studied at the B3LYP/cc-pVTZ level.
Małgorzata Jarończyk +2 more
doaj +1 more source
Stereoselective synthesis and transformation of pinane-based 2-amino-1,3-diols
Beilstein Journal of Organic Chemistry, 2021 A library of pinane-based 2-amino-1,3-diols was synthesised in a stereoselective manner. Isopinocarveol prepared from (−)-α-pinene was converted into condensed oxazolidin-2-one in two steps by carbamate formation followed by a stereoselective ...
Ákos Bajtel +4 more
doaj +1 more source
Tautomerism of Guanine Analogues [PDF]
Biomolecules, 2020 Tautomerism of nucleic acid (NA) bases is a crucial factor for the maintenance and translation of genetic information in organisms. Only canonical tautomers of NA bases can form hydrogen-bonded complexes with their natural counterparts. On the other hand, rare tautomers of nucleobases have been proposed to be involved in processes catalysed by NA ...
Jakub Radek Štoček +1 more
openaire +3 more sources
Tautomerism in the Guanyl Radical
Journal of the American Chemical Society, 2006 Despite a few decades of intense study, a full description of tautomers of one-electron-oxidized guanine remains to be achieved. Here we show that two of these tautomers are produced by the protonation of an 8-haloguanine electron adduct. The rate constants for the reactions of hydrated electrons (e(aq)(-)) with a variety of 8-substituted guanine ...
Chatgilialoglu C +6 more
openaire +6 more sources
Crystal structure of poly[(μ3-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]
Acta Crystallographica Section E: Crystallographic Communications, 2020 The title compound represents the thallium(I) salt of a substituted 1,2,5-oxadiazole, [Tl(C3H3N4O3)]n, with amino- and hydroxamate groups in the 4- and 3- positions of the oxadiazole ring, respectively.
Inna S. Safyanova +5 more
doaj +1 more source
Behavior of morpholine and its trimethylsilyl derivative in reactions with trimethylsilyl isocyanate
Тонкие химические технологии, 2022 Objectives. To study the patterns of behavior of morpholine and its trimethylsilyl derivative in reactions with trimethylsilyl isocyanate.Methods. The study employed infrared and nuclear magnetic resonance spectroscopy, as well as elemental analysis ...
L. O. Belova +4 more
doaj +1 more source