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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
5-Nov-2018	_Pt1_h	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-168.30504947; eV
5-Nov-2018	_OH_bridge	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-182.34812237; eV
5-Nov-2018	_F_top	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-172.05643010; eV
5-Nov-2018	_Pt_hollow	Fako, Edvin	-	N/A	DFT	-	-
26-Aug-2024	geom223_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.961832; Eh
9-Nov-2018	/noDisp/complexes sin-shpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1213.6590946; Eh
9-Nov-2018	/noDisp/complexes sin-shcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.6783915; Eh
9-Nov-2018	/noDisp/complexes sin-ch3-aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1556.4519616; Eh
9-Nov-2018	/noDisp/complexes sin-braucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1529.9485042; Eh
9-Nov-2018	/noDisp/complexes sin-cnincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1015.2310264; Eh

Results 22061-22070 of 103529 (Search time: 0.012 seconds).