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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	t12´_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3504.75359055; 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
	30-Jan-2018	HCHOHOH+H₂	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1133.38781328; eV
	30-Jan-2018	HCHOOH+OH	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1126.77409389; eV
	8-Nov-2018	/water/complexes aq-ph3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-920.4837942; Eh
	8-May-2019	/MnN4-H2O MnN4-H2O-CO	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-682.95511604; eV
	23-Aug-2018	/ni111/ts_calculation c2h6	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-228.81537455; eV

Results 12911-12920 of 104079 (Search time: 0.009 seconds).