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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/P_carbons/tr_C4P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-622.74997890; eV
	31-Jul-2023	/S_carbons/sq_C5S2_d2 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-630.42260734; eV
	31-Jul-2023	/S_carbons/sq_C5S2_s1 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-629.91755679; eV
	31-Jul-2023	/S_carbons/sq_C5S2_d1 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-630.40437795; eV
	31-Jul-2023	/S_carbons/sq_C5S4 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-621.87991715; eV
	6-Sep-2024	/BP86/W W04O13-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	7-Mar-2024	C4d	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2023.16364451; Eh
	7-Mar-2024	C4b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1791.67122720; Eh
	7-Mar-2024	C4c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1907.41313346; Eh
	7-Mar-2024	C4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1675.91806522; Eh

Results 51911-51920 of 104124 (Search time: 0.031 seconds).