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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Mar-2026	/clnanographene/c6h6/sp/test/Cl3_c6h6 Cl3_c6h6	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-692.2190571; Eh
	6-Mar-2026	/clnanographene/c6h6/sp/test/Cl4_c6h6 Cl4_c6h6	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-692.2187695; Eh
	6-Mar-2026	/clnanographene/c6h6/sp/test/Cl5_c6h6 Cl5_c6h6	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-692.2182926; Eh
	6-Mar-2026	/clnanographene/c24h12/Cl2_c24h12 Cl2_c24h12	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1380.68145123; Eh
	6-Mar-2026	/clnanographene/c24h12/Cl1_c24h12 Cl1_c24h12	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-1380.66103404; Eh
	6-Mar-2026	Hydroamination_S_second_TS182	Matsutani, Satoshi	GRRM; 26	Saddle	B3LYP	def2svp:pm7)	-5372.810768391100; Eh	-		-
	6-Mar-2026	Hydroamination_S_second_TS162	Matsutani, Satoshi	GRRM; 26	Saddle	B3LYP	def2svp:pm7)	-5372.826691627073; Eh	-		-
	6-Mar-2026	/fluronapthalene/4F_isomer_48 4F_isomer_48	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-781.885665102; Eh
	6-Mar-2026	/fluronapthalene/4F_isomer_49 4F_isomer_49	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-781.889520165; Eh
	6-Mar-2026	/fluronapthalene/5F_isomer_52 5F_isomer_52	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RHF	CBSB1 STO-3G	-881.028867702; Eh

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