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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_P_SACs/M_tr_C4P1_C5P1/Pt_tr_C4P1_C5P1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-647.89886917; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P2/Os_tr_C4P2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.38395986; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P0/Zn_tr_C4P0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.99544995; eV
	31-Jul-2023	/M_S_SACs/M_tr_C5S1/Pd_tr_C5S1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-650.43703751; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P2/Ru_tr_C4P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-631.88892739; eV
	19-Mar-2026	/AsMoW As01Mo04W08O40-0H-iso-204961	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.66957751; Eh
	26-Aug-2024	geom80_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0245238; Eh
	26-Aug-2024	geom7_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-611.4704388; Eh
	26-Aug-2024	geom21_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0300445; Eh
	26-Aug-2024	geom49_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6453436; Eh

Results 78111-78120 of 104126 (Search time: 0.057 seconds).