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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2025	/P2W15Mo3_XII Mo0H_sing	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-6579.33101178; Eh
	2-Mar-2025	/Linear_Hydroformylation L2	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	SDD 6-31G(D,P) GENECP	-2279.59865830; Eh
	2-Mar-2025	CO	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-113.307962662; Eh
	11-Mar-2024	CuPS	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3572.27994488; Eh
	11-Mar-2024	BIH	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-690.812818641; Eh
	27-May-2024	PW9_TS-H	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GENECP	-
	27-May-2024	SbW9_Ti-Oallyl-OOH_HOSi	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	GENECP	-
	27-May-2024	SbW9_TiOO_OH-Si	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	GENECP	-
	27-May-2024	SbW9_TS-Ole	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Structure	RB3LYP	GENECP	-
	27-May-2024	PW9_TiOO_OH-Si	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	GENECP	-

Results 261-270 of 389 (Search time: 0.001 seconds).