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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jun-2018	/PG_Propen_2_ol P2ol_a	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1147.40606173; eV
	22-Jun-2018	/PG_Propen_2_ol PGH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1147.83832784; eV
	22-Jun-2018	/PG_Propen_2_ol PG	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1147.54036685; eV
	22-Jun-2018	/Acrolein_2Propenol 2propenolH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1132.64342758; eV
	22-Jun-2018	/Acrolein_2Propenol Acrolein	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1132.69760451; eV
	22-Jun-2018	/Acrolein_2Propenol 2propenol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1132.38419771; eV
	22-Jun-2018	/Propanone_2Propanol 2propanol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1141.22328607; eV
	22-Jun-2018	/Propanone_2Propanol Propanone	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1141.53156368; eV
	22-Jun-2018	/Propanone_2Propanol 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	/PG_1Propenol 1propenol_a	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1147.35406138; eV

Results 21-30 of 110 (Search time: 0.002 seconds).