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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Pt-6-19	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-301.73939308; eV
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/IC_Me/IC_Me_2/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1878.31971964; Eh
	4-Apr-2023	/CoFeIII LS_Co(III)-OH	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.70352644; Eh
	11-May-2018	/positionsp1p2p3 NB10_Li_opt_freq_pos2_ra_sp	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2684.86205068; Eh
	12-Feb-2019	sa-PdRu-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-255.14085385; eV
	12-Feb-2019	sa-PdRh-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-253.42352356; eV
	8-May-2017	Ru-9-24	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-331.08342222; eV
	29-Feb-2016	Int2b2-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1998.53092512; Eh
	23-Jul-2018	/Isobutene/Ni/111/1H C4H9NT+H	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-320.21672685; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_methyl_but_ol_P_P_site ts_2_3_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-932.68975671; eV

Results 21041-21050 of 104510 (Search time: 0.013 seconds).