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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	8-May-2017	Pt-5-27	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-314.84874995; eV
	11-May-2018	/positionsp1p2p3 NB10_Li_opt_freq_pos1_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2684.84905712; Eh
	11-May-2018	/positionsp1p2p3 NB10_Rb_opt_freq_pos2_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2701.43239168; Eh
	29-Feb-2016	Int2b2-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1998.46077509; 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
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/Glycidol/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	-	-268.434446522; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp_PCM Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-345.612338620; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-712.359752418; 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 4551-4560 of 104124 (Search time: 0.006 seconds).