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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li+_2e-_3Li2S_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-1255.439037351; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_7Li+_8e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2486.721385941; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_8Li+_9e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2494.255399137; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_8Li+_8e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2494.173021050; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_4Li+_4e-_2Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1670.940776007; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li+_2e-_3Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1257.593291337; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_8Li+_9e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2497.898777999; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_8Li+_8e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2497.813890886; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_3Li+_3e-_Li2S_opt	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-mSVP	-1829.155516373; Eh
6-Feb-2026	/SPS_TRUNC_PAH1 SPS_3Li+_3e-_Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1831.859297835; Eh

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