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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-May-2018	D1	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Geometry optimization	PBE	-	-1086.25457171; eV
	17-May-2018	DPEPhosMePh2	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	PBE	-	-340.14318964; eV
	19-May-2016	Ag2O-pa+2H	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-404.20316194; eV
	19-May-2016	Ag-acetol	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-226.61233257; eV
	17-May-2018	TS-C10	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Frequencies	PBE	-	-1053.99903907; eV
	17-May-2018	C10	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Frequencies	PBE	-	-1054.58921960; eV
	17-May-2018	C11	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Frequencies	PBE	-	-1055.38393078; eV
	8-Jun-2020	/PU1_formation MC2_diss	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1336.27152754; eV
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_Insertion/Freq/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3596.10990027; Eh
	1-Dec-2017	/Mechanisms/Side_Intermediates/HCarb_HLigand HCarb_HLigand	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.90314361; Eh

Results 23031-23040 of 104508 (Search time: 0.014 seconds).