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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	9-Nov-2018	/noDisp/complexes sin-fenilomerhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-838.3430246; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomeptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-964.8696388; 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_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_1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-177.51241658; 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_b_2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-173.84022585; eV
	9-Nov-2018	/noDisp/complexes sin-fenilomeircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1250.2680772; Eh

Results 22741-22750 of 103529 (Search time: 0.013 seconds).