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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2018	t6	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2735.73643139; Eh
	8-Nov-2018	/water/complexes aq-piridinarush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1938.527152; Eh
	8-Nov-2018	/water/complexes aq-scnmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1755.7425945; Eh
	8-Nov-2018	/water/complexes aq-scnpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-962.3297964; Eh
	29-Jan-2018	t_7-8_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-3504.73149887; Eh
	29-Jan-2018	t_7-8	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-3197.67018956; Eh
	29-Jan-2018	t_8-9	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-3197.69003709; Eh
	29-Jan-2018	t8	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3197.69324563; Eh
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_metal_ads DMC_diss_Ag_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-255.02395781; eV
	4-Mar-2020	/singlet_triplet_mechanism/3_u2o4_2py 3_u2o4_2py	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-

Results 10831-10840 of 104592 (Search time: 0.009 seconds).