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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Dec-2022	SC5OMeB_RNaphth	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	-	ZDO	-0.585157536596; Eh
12-Dec-2022	SC5OMeB_ScPr	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	-	ZDO	-0.623107508040; Eh
12-Dec-2022	SC5OMeB_4CHCl3	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	-	ZDO	-0.955296873082; Eh
12-Dec-2022	SC5OMeB_RNaphth_MD	Lledó, Agustí	Amber; 20	Molecular Dynamics	-	-	-0.6314864697599999; Eh
12-Dec-2022	SC5OMeB_ScPr_MD	Lledó, Agustí	Amber; 20	Molecular Dynamics	-	-	-0.72308627904; Eh
12-Dec-2022	SC5OMeB_MD	Lledó, Agustí	Amber; 20	Molecular Dynamics	-	-	-0.7012501344; Eh

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