Title : Quantum computational study of chloride attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes.

Pub. Date : 2022 May 6

PMID : 35523939






2 Functional Relationships(s)
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1 In this study, we applied quantum computing to describe the PES of the bimolecular nucleophilic substitution (SN2) reaction between chloromethane and chloride ions. Methyl Chloride solute carrier family 38 member 5 Homo sapiens
2 In this study, we applied quantum computing to describe the PES of the bimolecular nucleophilic substitution (SN2) reaction between chloromethane and chloride ions. Chlorides solute carrier family 38 member 5 Homo sapiens