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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom128_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.3468011; Eh
	26-Aug-2024	geom1_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-305.7152341; Eh
	26-Aug-2024	geom47_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9645553; Eh
	26-Aug-2024	geom13_w11_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-840.808329015; Eh
	16-Jan-2026	/FG_dataset/amidines/cd/0001 cd-4aZf-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-126.52685421; eV
	17-Feb-2023	/M_P_din6_as_c2_12/Cu_P_din6_as_c2_12 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-607.83101201; eV
	17-Feb-2023	/M_P_din6_as_c1_3/Zn_P_din6_as_c1_3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-601.86794877; eV
	6-Dec-2023	/SinglePoint [Isomer_III+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.8084646; Eh
	6-Dec-2023	/SinglePoint [Isomer_II+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.8128398; Eh
	6-Dec-2023	/SinglePoint [Isomer_I+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.8225982; Eh

Results 43831-43840 of 103542 (Search time: 0.027 seconds).