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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2022	Pyrazinamide	Alvarado, Jesus	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P)	-433.062566954; Eh
	6-Nov-2023	Zr6cluster_co2	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2585.11853643; Eh
	6-Nov-2023	Zr6cluster_3oh	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2625.91497820; Eh
	6-Nov-2023	Zr6cluster	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2396.49620907; Eh
	6-Nov-2023	Zr6cluster_oh_h	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2397.65321047; Eh
	6-Nov-2023	Zr6cluster_1oh	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2472.97922171; Eh
	6-Nov-2023	Zr6cluster_2oh	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2549.44475007; Eh
	6-Nov-2023	Zr6cluster_4h2o_4oh	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3008.23375861; Eh
	6-Nov-2023	Zr6cluster_4oh	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2702.36307501; Eh
	6-Nov-2023	h2o	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-76.4187335838; Eh

Results 1-10 of 10 (Search time: 0.002 seconds).