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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/5F_isomer_56 5F_isomer_56	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-881.5032829; Eh
	6-Mar-2026	/fluronapthalene/6F_isomer_67 6F_isomer_67	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-980.166407640; Eh
	6-Mar-2026	/fluronapthalene/6F_isomer_73 6F_isomer_73	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-980.164872584; Eh
	7-Nov-2024	/EDA_complex_with_the_Phtl_anion_excited_state EDA_complex_with_Phtl_anion_lowestE_conformer_excited_state	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1487.82835; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-upPhtl_EZisomer-NEW_eq	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1487.82057715; Eh
	7-Nov-2024	/fragmentation_of_the_EDA_complex_with_Phtl_anion_as_donor EDA-upPhtl_ZEisomer_ax	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1487.81394150; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA-upDABCO_EZNEW	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.6083485; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA_complex_excited_state	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.6132999; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA-downDABCO_EZ	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.6092693; Eh
	7-Nov-2024	/EDA_complex_conformers_with_DABCO_excited_state EDA-downDABCO_ZZ	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) 6-31+G(D,P) GEN	-1320.6008734; Eh

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