Articles with "effects structures" as a keyword



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Solvent effects on the structures of the neutral ammonia clusters

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Published in 2020 at "Computational and Theoretical Chemistry"

DOI: 10.1016/j.comptc.2020.113042

Abstract: Abstract Understanding the solvation processes is subjected to the understanding of the clusters of the solvent molecule that constitute the solution. The description of proton transfer and ion diffusion processes in ammonia depends on the… read more here.

Keywords: neutral ammonia; ammonia clusters; structures neutral; effects structures ... See more keywords
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Ligand Effects on the Structures of [Au23L6(C≡CPh)9]2+ (L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores

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Published in 2021 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.1c02197

Abstract: A new gold cluster compound [Au23(NHCptol)6(C≡CPh)9]2+ (NHCptol = 1,3-di(para-methylbenzyl)benzimidazolin-2-ylidene) (Au23NHCptol) was synthesized, and its geometric and electronic structures were ... read more here.

Keywords: effects structures; au23l6 cph; cph heterocyclic; ligand effects ... See more keywords