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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-sincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1320.791849; Eh
	2-Aug-2018	MDsnap_trimer2_2120	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.27822607; eV
	29-Feb-2016	Cl-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-15.1389866070; Eh
	22-Jul-2018	/ADF/ADF_P303/NO3 NO3	Petrus, Enric	ADF; 2016	Single point Minimum	DFT	TZP	-
	26-Oct-2017	/THF TS-4-5-I_T-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-1796.02982302; Eh
	26-Oct-2017	/THF TS-8-9-Cl-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1783.69289962; Eh
	9-Nov-2018	/vacuum/complexes pcl3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-2088.51369627; Eh
	29-Feb-2016	LO-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-465.706702818; Eh
	8-May-2017	Ru-3-01	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-362.98565356; eV
	23-Aug-2018	/solvation//solvation solv methyl_but_ol+4h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-97.23595157; eV

Results 18381-18390 of 104512 (Search time: 0.012 seconds).