Articles with "calculations gold" as a keyword



Synthesis, X-ray characterization, and DFT calculations of gold-nucleobase complexes: On the importance of regium bonds and anion–π interactions

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Published in 2025 at "CrystEngComm"

DOI: 10.1039/d5ce00363f

Abstract: In this manuscript, we report the synthesis and X-ray characterization of two new Au(III)-cytosine systems: AuCl3(CytC6) (1) and (HCytC6)2[AuCl4]Cl (2), where CytC6 is N1-hexylcytosine. Compound 1 is an inner sphere... read more here.

Keywords: calculations gold; ray characterization; synthesis ray; dft calculations ... See more keywords