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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jun-2018	/molecules ethylene_glycol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	PBE	-	-53.41637328; 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
	22-Jun-2018	/Acrolein_1Propenol TS_1propenol_1propenolH	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1132.46846598; 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	/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	/Acetol_PG TS_Acet2OH_PG	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	PBE+U	-	-1146.28320506; eV
	12-Feb-2019	sa-OsRe-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-527.96822969; 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	/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

Results 27501-27510 of 104508 (Search time: 0.015 seconds).