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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3ph2-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-458.391191508; Eh
	9-Nov-2018	/vacuum/complexes fenilclconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1119.47642289; Eh
	9-Nov-2018	/vacuum/complexes chch2rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1768.25557794; Eh
	9-Nov-2018	/vacuum/complexes cchcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-443.621595313; Eh
	9-Nov-2018	/vacuum/complexes chch2znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-345.049713969; Eh
	9-Nov-2018	/vacuum/complexes fenilcloso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1007.31942519; Eh
	9-Nov-2018	/vacuum/complexes chch2mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-407.946047864; Eh
	9-Nov-2018	/vacuum/complexes fenilclticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2130.39032126; Eh
	28-May-2022	/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Pd-2CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-336.00823127; eV
	13-Apr-2021	3O-doped-Ni(100)-3x3-CH2CH(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-457.15535905; eV

Results 15531-15540 of 104515 (Search time: 0.011 seconds).