Cooperative nature of the sulfur centered hydrogen bond: investigation of (HS) ( = 2-4) clusters using an affordable yet accurate level of theory

Existing studies have shown that appreciably high level quantum chemical calculations are required to reproduce experimental energetic and geometric features of a H 2 S dimer. This condition severely restricts any practical possibility of obtaining reliable results for higher order H 2 S clusters. W...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2019-12, Vol.21 (45), p.25439-25448
Hauptverfasser: Sarkar, Saptarshi, Monu, Bandyopadhyay, Biman
Format: Artikel
Sprache:eng
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