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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	/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
	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	/Propanal_1Propanol Propanal	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1141.05457307; eV
	22-Jun-2018	/13Enol_HP 13enolH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1139.25552562; eV
	22-Jun-2018	/13Enol_HP 13enol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1139.05084893; eV
	22-Jun-2018	/13Enol_HP HP	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1139.93365181; 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	/Vacancy_formation 2OHtt_MoO3	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1091.27880682; eV

Results 11481-11490 of 104079 (Search time: 0.032 seconds).