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Claim

Simulating the solvation structure of low- and high-spin [Fe(bpy) 3 ] 2+ : long-range dispersion and many-body effects

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2022 Hungary, Denmark English Publisher:Royal Society of Chemistry (RSC)Journal:Physical Chemistry Chemical Physics, volume 24, pages 16,655-16,670 (issn: 1463-9076, eissn: 1463-9084, Copyright policy )Funded by:IRFD | unidentified
Authors: Habiburrahman Zulfikri; Mátyás Pápai; Asmus Ougaard Dohn;

doi: 10.1039/d2cp00892k , 10.26434/chemrxiv-2022-3vtlc , 10.5281/zenodo.6599115 , 10.5281/zenodo.6136975 , 10.5281/zenodo.6136976

pmid: 35766396

Simulating the solvation structure of low- and high-spin [Fe(bpy) 3 ] 2+ : long-range dispersion and many-body effects

Abstract

Investigating the atomic interactions that govern solvation structure of transition metal complexes.

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Hungary, Denmark
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Keywords

DLPNO-CCSD(T), Transition Metal Complexes, Hydration, Organometallics, Water, Solvation, QD02 Physical chemistry / fizikai kémia, Dispersion, DFT, Many Body

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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