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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2024	SP_D18b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-543.2809294; Eh
	7-Mar-2024	SP_D17	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-543.6330163; Eh
	17-Feb-2023	/M_P_din4_x2_c3_d/Co_P_din4_x2_c3_d rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-612.04105494; eV
	17-Jul-2022	/intermediates Cu(711)-1x4-CuCO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-283.22459844; eV
	17-Jul-2022	/intermediates Cu(111)-3x3-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-128.61213432; eV
	25-Jun-2024	/Intermediates/Ru/0001 C2H4O_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	31-Jul-2023	/M_N_SACs/M_sq_C5N2_d1/Cu_sq_C5N2_d1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-645.85280485; eV
	7-Mar-2024	SP_D16	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-543.2333896; Eh
	17-Feb-2023	/M_P_din4_x2_c3_c_v2/Zn_P_din4_x2_c3_c_v2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.00985787; eV
	17-Feb-2023	/M_P_din4_x2_c3_c_v2/Ni_P_din4_x2_c3_c_v2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-614.09220220; eV

Results 44681-44690 of 103542 (Search time: 0.027 seconds).