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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jun-2018	/Propen2ol_Propanone TS_P2olH_P2ol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	PBE+U	-	-1132.50405552; eV
	22-Jun-2018	/1Propanol_Propylene TS_1propanolH_1propanol	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1140.64159071; eV
	22-Jun-2018	/PG_Propen_2_ol TS_PGHa_PGa	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1147.25486234; eV
	22-Jun-2018	/PG_1Propenol TS_PGHb_PGb	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1147.33103985; eV
	22-Jun-2018	/molecules 1_Propenol_E	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	PBE	-	-55.41916993; eV
	22-Jun-2018	/molecules 2_propenol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	PBE	-	-55.05967919; eV
	22-Jun-2018	/molecules glycerol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	PBE	-	-76.69116119; eV
	22-Jun-2018	/Vacancy_formation TS_2OtH_H2Ot	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1091.05278758; eV
	22-Jun-2018	/13Proanediol_2Propenol TS_13Propanediol_2Propenol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Improved Dimer Method	PBE+U	-	-1145.86308368; eV
	22-Jun-2018	/Propen2ol_Propanone TS_P2ol_1Propanone	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1132.32750753; eV

Results 21761-21770 of 103542 (Search time: 0.014 seconds).