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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Feb-2026	/SPS_EXT_PAH2 SPS_5Li+_4e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2471.358082024; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_5Li+_5e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2471.469754298; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_3Li+_3e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2456.299691345; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li+_2e-_Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2054.089764207; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_8Li+_7e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2497.657609522; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_5Li+_4e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2474.949196117; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li2S_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-1638.085124513; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_4Li+_4e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2467.491211931; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1640.689081578; Eh
6-Feb-2026	/SPVP_EXT_PAH2 SPVP_6Li+_6e-_Cface_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2924.908475417; Eh

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