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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2018	t11´	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3197.69858001; Eh
	29-Jan-2018	M2_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d)	-615.486637560; Eh
	29-Jan-2018	M2	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d)	-461.959762518; Eh
	30-Jan-2018	CO	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1103.16050614; eV
	8-Nov-2018	/water/complexes aq-ph3fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1848.0396922; Eh
	2-Aug-2018	MDsnap_trimer1_100	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.47581481; eV
	29-Jan-2018	t_10´-11´_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-31g(d); SDD	-3504.74410128; Eh
	29-Jan-2018	t10´_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3504.75381686; Eh
	29-Jan-2018	t10´	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3197.69270090; Eh
	29-Jan-2018	t1	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2273.73960323; Eh

Results 10981-10990 of 104592 (Search time: 0.011 seconds).