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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Mar-2021	DCM_INTCC1_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.09059140; Eh
	11-Mar-2021	DCM_INTCC3_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.15154266; Eh
	11-Mar-2021	DCM_N2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) GEN	-109.521919829; Eh
	11-Mar-2021	DCM_INTCC2_BS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G 6-31G LANL2DZ GEN*	-4508.10094826; Eh
	11-Mar-2021	DCM_CUTHF	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2179.54778470; Eh
	11-Mar-2021	DCM_Cu	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-1947.03432408; Eh
	11-Mar-2021	DCM_THF	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) GEN	-232.475436204; Eh
	11-Mar-2021	TOL_THF	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) GEN	-232.473791462; Eh
	26-Feb-2024	ch3ptme32_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G SDD GENECP*	-1081.59077084; Eh
	11-Feb-2022	step_002_s_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8414766; Eh

Results 10331-10340 of 12842 (Search time: 0.008 seconds).