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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/2F_isomer_5 2F_isomer_5	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-583.9180761; Eh
	6-Mar-2026	/fluronapthalene/sp/2F_isomer_8 2F_isomer_8	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-583.9188766; Eh
	6-Mar-2026	/fluronapthalene/sp/2F_isomer_9 2F_isomer_9	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-583.9187188; Eh
	6-Mar-2026	/fluronapthalene/sp/2F_isomer_6 2F_isomer_6	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-583.9189414; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA-upDABCO_EENEW	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.6102342; Eh
	6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li+_3e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2448.864876420; Eh
	6-Feb-2026	/SPS_EXT_PAH2 SPS_3Li+_2e-_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-2456.175998263; Eh
	6-Feb-2026	/SPS_EXT_PAH2 SPS_3Li+_3e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2459.862212505; Eh
	6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li+_3e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2452.417133194; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_0_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2879.367875261; Eh

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