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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Feb-2026	/SPS_TRUNC_PAH1 SPS_3Li+_3e-_2Li2S_opt	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-mSVP	-1431.390187693; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_Li+_e-_3Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1696.384223617; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_3Li2S_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-1686.059844254; Eh
	6-Feb-2026	/SPS_EXT_PAH2 SPS_Li+_e-_Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2046.470868884; Eh
	6-Feb-2026	/SPS_TRUNC_PAH1 SPS_7Li+_7e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2260.482836994; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-downPhtl_ZEisomer-NEW_ax	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1487.81158781; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-downPhtl_EZisomer-NEW_eq	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1487.82747308; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-downPhtl_ZEisomer_eq	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1487.81735429; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-downPhtl_ZZisomer_eq	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1487.81548728; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-upPhtl_EEisomer_eq	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1487.82534800; Eh

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