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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/2F_isomer_8 2F_isomer_8	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-583.615104601; Eh
	6-Mar-2026	/fluronapthalene/2F_isomer_4 2F_isomer_4	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-583.608363610; Eh
	6-Mar-2026	/fluronapthalene/0F_isomer_1 0F_isomer_1	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-385.322829693; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA-upDABCO_ZZ	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.6012287; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA-upDABCO_ZE	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.6033073; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_2Li+_2e-_4Li2S_sp	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-1303.408521092; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_11Li+_10e-_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-2962.564800573; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_10Li+_11e-_opt	Escayola Gordils, Sílvia	-	Single point TS	U-DFT	def2-mSVP	-2955.189156183; Eh
	6-Feb-2026	/SPVP_EXT_PAH2 SPVP_10Li+_11e-_sp	Escayola Gordils, Sílvia	-	Single point	U-DFT	def2-TZVPD	-2959.440005469; Eh
	6-Feb-2026	/SPS_EXT_PAH2 SPS_2Li+_e-_opt	Escayola Gordils, Sílvia	-	Single point Minimum	U-DFT	def2-mSVP	-2448.576315233; Eh

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