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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Sep-2025	TS_36L_2molecule_4	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	UB3LYP	DEF2SVP	-4164.55210133; Eh
	4-Sep-2025	TS_36L_2dimer_4	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	UB3LYP	DEF2SVP	-4429.41585767; Eh
	4-Sep-2025	TS_3A_3H_3	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	UB3LYP	DEF2SVP	-4085.46867797; Eh
	4-Sep-2025	TS_3H_4H_3	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	UB3LYP	DEF2SVP	-3821.06641401; Eh
	4-Sep-2025	21I_5	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-3860.37596418; Eh
	4-Sep-2025	21I_3	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-3860.38074155; Eh
	4-Sep-2025	21I_1	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3860.39452733; Eh
	29-Jun-2025	Bioallethrin_CONF208_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-965.6896044; Eh
	4-Sep-2025	H2CO3_cluster	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-794.530086236; Eh
	4-Sep-2025	H2CO3	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-264.822669955; Eh

Results 379771-379780 of 403438 (Search time: 0.199 seconds).