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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Mar-2026	/fluronapthalene/sp/6F_isomer_72 6F_isomer_72	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-980.6973986; Eh
	6-Mar-2026	/fluronapthalene/sp/4F_isomer_48 4F_isomer_48	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-782.3044717; Eh
	6-Mar-2026	/fluronapthalene/sp/4F_isomer_49 4F_isomer_49	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-782.3088322; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA-downDABCO_EZisomer-NEW	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.613281; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_2Li+_2e-_4Li2S_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-1303.408521092; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_10Li+_10e-_Nface_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-2955.112749927; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_8Li+_8e-_Nface_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-2940.013428692; Eh
	6-Feb-2026	/SPVP_TRUNC_PAH1 SPVP_2Li+_2e-_4Li2S_opt	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-mSVP	-1058.006675351; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_4Li+_4e-_3Li2S_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-1719.114299972; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_9Li+_9e-_Nface_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2951.776366527; Eh

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