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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	ads_din4-clean-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2003.40635422; eV
	18-Sep-2019	ads_epo-clean-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2034.01383212; eV
	19-May-2016	AgOx_Ag(111)-H2O	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-194.44029098; eV
	19-May-2016	Ag-ts2	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-224.09220494; eV
	19-May-2016	Ag-pa	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-224.83079151; eV
	1-Dec-2017	/Mechanisms/Side_Intermediates/Ens_Chelate_CO2/CO2_Bonded_Frozen CO2_Bonded_Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.42298926; Eh
	1-Dec-2017	/Mechanisms/Side_Intermediates/HCarb_HBond_Ligand/Scan_CC/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.46519652; Eh
	1-Dec-2017	/Mechanisms/Side_Intermediates/Carb_HBond_OEp_HL Carb_HBond_OEp_HL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.44890280; Eh
	1-Dec-2017	/Mechanisms/Side_Intermediates/TS_CC_Down_OH/Modified_631G Modified_631G	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-2026.40415609; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Open_Ligand/TS_CC_Tests/TS/TZDP TZDP	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-2026.82696909; Eh

Results 10411-10420 of 104079 (Search time: 0.008 seconds).