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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_2Li+_2e-_Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1824.325140640; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_3Li+_3e-_2Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1433.626385646; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_3Li+_3e-_3Li2S_opt	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-mSVP	-1033.568136465; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_3Li+_3e-_3Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1035.332351786; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_3Li+_3e-_opt	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-mSVP	-2226.933099916; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_2Li+_2e-_opt	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-mSVP	-2219.379041799; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_2Li+_2e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2222.548263116; Eh
6-Feb-2026	/SPVP_EXT_PAH2 SPVP_10Li+_10e-_Cface_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2955.096430562; Eh
6-Feb-2026	/SPVP_EXT_PAH2 SPVP_3Li+_3e-_3Li2S_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-1708.819422730; Eh
6-Feb-2026	/SPVP_EXT_PAH2 SPVP_Li+_e-_4Li2S_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-1295.816033882; Eh

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