Articles with "molecules vacuum" as a keyword



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Dehydrogenation versus deprotonation of disaccharide molecules in vacuum: a thorough theoretical investigation

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Published in 2022 at "Royal Society Open Science"

DOI: 10.1098/rsos.220436

Abstract: Dehydrogenation and deprotonation of sucrose and trehalose molecules in vacuum is theoretically studied by using ab initio calculations in the framework of the density functional theory. The differences in the structural, electronic, energetic and vibrational… read more here.

Keywords: molecules vacuum; hydrogen atom; deprotonated molecules; hydrogen ... See more keywords