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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jun-2018	/2Propanol_Propylene TS_2propanolH_2propanol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	PBE+U	-	-1140.72152055; eV
	22-Jun-2018	/Propanone_2Propanol TS_2propanol_2propanolH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	PBE+U	-	-1140.72152055; eV
	22-Jun-2018	/2Propanol_Propylene TS_2Propanol_Propylene	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1139.53965823; eV
	22-Jun-2018	/Acrolein_2Propenol TS_Acrolein_2Propenol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1131.47126375; eV
	22-Jun-2018	/12Enol_Acetol TS_12enol_acetol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1139.10834150; eV
	22-Jun-2018	/Gly_13Enol TS_Glyb_13enol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1152.76678684; eV
	22-Jun-2018	/13Proanediol_2Propenol TS_13propanediolH_13propanediol	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1147.13558883; eV
	22-Jun-2018	/Acrolein_2Propenol TS_2propenol_2propenolH	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	PBE+U	-	-1132.05189141; eV
	22-Jun-2018	/Gly_12Enol Gly_a	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1153.95046243; eV
	22-Jun-2018	/13Enol_HP TS_13enol_HP	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1138.96901726; eV

Results 101-110 of 110 (Search time: 0.001 seconds).