Detalles de la búsqueda
1.
Theoretical Spectroscopic Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH3COCHO) and Methyl Vinyl Ketone (CH3COCHâCH2).
J Phys Chem A
; 126(40): 7230-7241, 2022 Oct 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-36178377
2.
Large Amplitude Motions of Pyruvic Acid (CH3-CO-COOH).
Molecules
; 26(14)2021 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-34299546
3.
Large amplitude vibrations of acetyl isocyanate, methyl cyanoformate, and acetyl cyanate.
Phys Chem Chem Phys
; 21(7): 3597-3605, 2019 Feb 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-30259017
4.
Crystal structure, Hirshfeld surface analysis, inter-action energy and energy framework calculations, as well as density functional theory (DFT) com-putation, of methyl 2-oxo-1-(prop-2-yn-yl)-1,2-di-hydro-quinoline-4-carboxyl-ate.
Acta Crystallogr E Crystallogr Commun
; 79(Pt 10): 883-889, 2023 Oct 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37817963
5.
Crystal structure, Hirshfeld surface analysis, inter-action energy and DFT calculations and energy frameworks of methyl 6-chloro-1-methyl-2-oxo-1,2-di-hydro-quinoline-4-carboxyl-ate.
Acta Crystallogr E Crystallogr Commun
; 78(Pt 4): 425-432, 2022 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-35492275
6.
Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1H-pyra-zolo[3,4-d]pyrimidin-1-yl)acetic acid.
Acta Crystallogr E Crystallogr Commun
; 78(Pt 9): 953-960, 2022 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36072525
7.
Theoretical spectroscopic study of acetyl (CH 3CO), vinoxy (CH 2CHO), and 1-methylvinoxy (CH 3COCH 2) radicals. Barrierless formation processes of acetone in the gas phase.
Open Res Eur
; 1: 116, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-37645120
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