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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_M1_FREQ_TZ	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-7550.1515326; Eh
	6-May-2025	DSi-3e_2H_TZ	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-7551.2066776; Eh
	6-May-2025	DSi-2e_2H_TZ	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-7551.0802684; Eh
	6-May-2025	tea_alkene_TZ	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-291.3057148; Eh
	6-May-2025	add-postTS-2e_FREQ_acetonitrile	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ CC-PVDZ GEN	-1844.97457305; Eh
	6-May-2025	tfa_TZ	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-527.0112239; Eh
	6-May-2025	htea_TZ	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-292.9897764; Eh
	28-Aug-2024	SP_ar3m2_cat_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1345.819017; Eh
	28-Aug-2024	obn_an_m2c_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-617.061608649; Eh
	28-Aug-2024	uvvisfrag1_cat	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X; TD-FC	6-311+G(D,P)	-1345.1949416; Eh

Results 90581-90590 of 91738 (Search time: 0.047 seconds).