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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1p 1p_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-515.3594521; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilometame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-562.8261792; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomerush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2036.4170894; Eh
	5-Nov-2018	_F-static_doplnek_1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-171.38540179; eV
	5-Nov-2018	_F-static_doplnek_5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-173.81722138; eV
	5-Nov-2018	_OH-static_t_4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-177.54799637; eV
	5-Nov-2018	_OH-static_b_2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-177.70318462; eV
	5-Nov-2018	_CN-static_t_9	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.22591343; eV
	5-Nov-2018	_F-static_t_8	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-171.39337966; eV
	13-Apr-2023	/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-OH-5H2O-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-355.91854600; eV

Results 15071-15080 of 104583 (Search time: 0.011 seconds).