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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	screen_Pt-oh2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2025.99942904; eV
	2-Aug-2018	MDsnap_trimer2_800	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.95257177; eV
	29-Feb-2016	Int2b1-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1998.46774244; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/IC/IC_2/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-1838.97000151; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/IC/IC_3/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-1838.96697309; Eh
	11-May-2018	/positionsp1p2p3 NB10_K_opt_freq_pos2_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2705.65552348; Eh
	8-May-2017	Ru-4-14	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-359.27067261; eV
	11-May-2018	/mechanism_cesium NB10_Cs_C1_EH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2874.33514109; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/IC_Me/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-1878.27213560; Eh
	11-May-2018	/metastable1h2o_with_lithium NB10_Li_C2_CH_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2798.47705931; Eh

Results 21391-21400 of 104508 (Search time: 0.013 seconds).