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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Sep-2025	44__ethy_dimethylaniline	Penas, Francesc; Zoubritzky, Lionel	Gaussian; 16; EM64W-G16RevC.01	Single point Minimum	-	-	-543.931161864; Eh
	29-Jun-2025	Halfenprox_CONF22_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4243446; Eh
	22-Oct-2025	/Mechanism Ib	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	UM062X	DEF2TZVP GEN	-557.287332019; Eh
	22-Oct-2025	/Mechanism 1	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	RM062X	DEF2TZVP GEN	-828.268454746; Eh
	25-Nov-2025	B12Br11_Cyclohexene_Allyl_TS	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	RB3LYP	DEF2TZVPP	-28849.9082398; Eh
	25-Nov-2025	B12I11_Toluene_Aryl_TS	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RB3LYP	DEF2TZVPP	-3846.65347209; Eh
	29-Jun-2025	Halfenprox_CONF261_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4232458; Eh
	29-Jun-2025	Halfenprox_CONF351_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4243309; Eh
	29-Jun-2025	Halfenprox_CONF61_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.424045; Eh
	22-Oct-2025	/Mechanism Im1-H+	Ortuño Maqueda, Manuel Angel	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	RM062X	DEF2TZVP GEN	-557.083512452; Eh

Results 380291-380300 of 402373 (Search time: 0.226 seconds).