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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jun-2018	/12Enol_Acetol Acetol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1140.35658659; eV
	22-Jun-2018	/2Propanol_Propylene 2propanolH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1141.60109367; eV
	22-Jun-2018	/Propanal_1Propanol 1propanolH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1141.23267328; eV
	22-Jun-2018	/Propanal_1Propanol 1propanol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1140.91712331; eV
	22-Jun-2018	/PG_1Propenol PGH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1148.16831375; eV
	22-Jun-2018	/Propen2ol_Propanone P2olH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1133.07065208; eV
	22-Jun-2018	/Vacancy_formation OHt_OHb_MoO3	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1091.38336400; eV
	22-Jun-2018	/Propen2ol_Propanone Propanone	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1133.95508610; eV
	22-Jun-2018	/Propen2ol_Propanone P2ol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	PBE+U	-	-1132.98197065; eV
	22-Jun-2018	/12Enol_Acetol 12enolH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1139.66013231; eV

Results 31-40 of 110 (Search time: 0.001 seconds).