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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2024	/Ni/BS2/NHC RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-2276.8312425; Eh
	18-Jun-2024	/Transition_states/Co/0001 2425-1212+1212	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	9-May-2024	/generics/BS1 PCF3_3	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1354.21693534; Eh
	9-May-2024	/generics/BS1 B_OH_3	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-252.483229899; Eh
	9-May-2024	/Ni/BS2/PCF3_3 A3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-3579.2483349; Eh
	9-May-2024	/generics/BS1 PhPh	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-463.319222634; Eh
	9-May-2024	/Ni/BS2/PCF3_3 A2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-5669.1060581; Eh
	9-May-2024	/Ni/BS2/PCF3_3 RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-3326.5995583; Eh
	9-May-2024	/Ni/BS2/PCF3_3 A0	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-4217.8872272; Eh
	9-May-2024	/generics/BS1 Br	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-2571.51513391; Eh

Results 73851-73860 of 104126 (Search time: 0.043 seconds).