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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+_6e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2471.623084443; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_Li+_e-_2Li2S_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-1645.645835199; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_6Li+_6e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2479.055338008; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_3Li+_3e-_Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2061.635852013; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_6Li+_5e-_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-2478.900831066; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_5Li+_6e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2475.221257799; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_6Li+_5e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2482.506617114; Eh
6-Feb-2026	/SPS_EXT_PAH2 SPS_5Li+_5e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2475.057493644; Eh
6-Feb-2026	/SPVP_EXT_PAH2 SPVP_7Li+_7e-_Cface_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2932.451851354; Eh
6-Feb-2026	/SPVP_EXT_PAH2 SPVP_2Li+_2e-_2Li2S_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-2099.066369520; Eh

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