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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-fticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1539.0627999; Eh
	9-Nov-2018	/water//water complexes aq-fwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-733.9423861; Eh
	23-Aug-2018	/gas methyl_but_ol	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-79.57089442; eV
	9-Nov-2018	/water//water complexes aq-fenilcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-598.6167847; Eh
	9-Nov-2018	/water//water complexes aq-fenilrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1921.9944331; Eh
	9-Nov-2018	/water//water complexes aq-cotame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-329.8183134; Eh
	9-Nov-2018	/water//water complexes aq-fircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1004.0004107; Eh
	9-Nov-2018	/vacuum/complexes nh2cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-422.844768239; Eh
	9-Nov-2018	/water//water complexes aq-foso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-415.9709736; Eh
	23-Aug-2018	/slabs/segregation/ni3p1 layer4_P_108_Ni_53	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.58537978; eV

Results 14051-14060 of 104583 (Search time: 0.011 seconds).