Formation of complex organic molecules in methanol and methanol–carbon monoxide ices exposed to ionizing radiation–a combined FTIR and reflectron time-of-flight …
The radiation induced chemical processing of methanol and methanol–carbon monoxide
ices at 5.5 K exposed to ionizing radiation in the form of energetic electrons and subsequent …
ices at 5.5 K exposed to ionizing radiation in the form of energetic electrons and subsequent …
A first-principles exploration of the conformational space of sodiated pyranose assisted by neural network potentials
Sampling the conformational space of monosaccharides using the first-principles methods is
important and as a database of local minima provides a solid base for interpreting …
important and as a database of local minima provides a solid base for interpreting …
A first-principles exploration of the conformational space of sodiated di-saccharides assisted by semi-empirical methods and neural network potentials
Previous exploration of the conformational space of sodiated mono-saccharides using a
random search algorithm leads to∼ 103 structurally distinct conformers covering an energy …
random search algorithm leads to∼ 103 structurally distinct conformers covering an energy …
1, 3-Dihydroxyacetone in sagittarius B2 (N-LMH): the first interstellar ketose
SLW Weaver, GA Blake - The Astrophysical Journal, 2005 - iopscience.iop.org
We present here the results of an initial search for 1, 3-dihydroxyacetone [or DHA, CO (CH 2
OH) 2], the simplest ketose monosaccharide, toward the Sagittarius B2 (N-LMH) hot core …
OH) 2], the simplest ketose monosaccharide, toward the Sagittarius B2 (N-LMH) hot core …
Investigating the limits of chemical complexity in Sagittarius B2 (N): a rigorous attempt to confirm 1, 3-dihydroxyacetone
AJ Apponi, DT Halfen, LM Ziurys, JM Hollis… - The Astrophysical …, 2006 - iopscience.iop.org
A search for confirming transitions of 1, 3-dihydroxyacetone,(CH 2 OH) 2 CO (hereafter
DHA), has been made toward Sgr B2 (N) using the Arizona Radio Observatory …
DHA), has been made toward Sgr B2 (N) using the Arizona Radio Observatory …
From rotational resolved spectra to an extended increment system of planar moments allowing ad-hoc conformational identification–Exemplification by the broadband …
P Buschmann, KG Lengsfeld, J Djahandideh… - Journal of Molecular …, 2022 - Elsevier
Abstract The broadband microwave spectrum (10–25.5 GHz) of α-hydroxybutyric acid was
recorded and analyzed. The resulting planar moment orthogonal to the molecular plane of …
recorded and analyzed. The resulting planar moment orthogonal to the molecular plane of …
Molecular structure and conformational composition of 1, 3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants …
OV Dorofeeva, N Vogt, J Vogt, MV Popik… - The Journal of …, 2007 - ACS Publications
The molecular structure of 1, 3-dihydroxyacetone (DHA) has been studied by gas-phase
electron diffraction (GED), combined analysis of GED and microwave (MW) data, ab initio …
electron diffraction (GED), combined analysis of GED and microwave (MW) data, ab initio …
The hyperfine structure of sugars investigated by microwave spectroscopy and quantum chemical calculations
M Rey, JR Aviles-Moreno, TR Huet - Chemical physics letters, 2006 - Elsevier
The hyperfine structure of glycolaldehyde and 1, 3-dihydroxyacetone has been observed
using high-resolution microwave Fourier transform spectroscopy. The nuclear spin–rotation …
using high-resolution microwave Fourier transform spectroscopy. The nuclear spin–rotation …
Sugars in the gas phase: The conformational properties of erythrose, threose, and erythrulose characterized by quantum chemistry calculations
JR Aviles-Moreno, TR Huet - Journal of Molecular Structure: THEOCHEM, 2008 - Elsevier
The structural properties of the three open chain C4H8O4 sugars, ie two aldoses (erythrose
and threose) and one ketose (erythrulose), have been investigated by DFT and ab initio …
and threose) and one ketose (erythrulose), have been investigated by DFT and ab initio …
Stability of conformationally locked free fructose: theoretical and computational insights
Despite many experimental and theoretical investigations, a quantitative explanation of the
factors governing the stability of sugars is rather scarcely attempted in the literature. A …
factors governing the stability of sugars is rather scarcely attempted in the literature. A …