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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-May-2025	DSi-2e_M3_FREQ	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ CC-PVDZ GEN	-7548.13669541; Eh
	6-May-2025	DSi-3e_2H	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ CC-PVDZ GEN	-7549.19886267; Eh
	6-May-2025	DSi-2e_2H	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ CC-PVDZ GEN	-7549.06687879; Eh
	6-May-2025	tea_alkene	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-291.203710577; Eh
	6-May-2025	DSi-1e_H_Oc-b-back	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	LANL2DZ CC-PVDZ	-7548.47079666; Eh
	6-May-2025	htea	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-292.885312574; Eh
	28-Aug-2024	SP_ar3m2obn_meoh_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1847.3902267; Eh
	28-Aug-2024	SP_ar3m2obn_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1731.6045676; Eh
	28-Aug-2024	SP_ar3m2cnoac_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1706.1262412; Eh
	28-Aug-2024	SP_ar3no2_rad	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(D,P)	-1181.730777; Eh

Results 91181-91190 of 91738 (Search time: 0.049 seconds).