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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 12_enol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	PBE	-	-61.93683678; eV
	1-Oct-2019	/TS/GenGeoms NoRot	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-183.72287778; 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
	22-Jun-2018	/Vacancy_formation 2OHt_MoO3_x	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	PBE+U	-	-1083.41291684; 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	/13Enol_HP TS_13enolH_13enol	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE+U	-	-1138.73234701; eV
	22-Jun-2018	/Gly_12Enol TS_GlyHa_Glya	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	PBE+U	-	-1153.64188009; eV
	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

Results 13891-13900 of 104583 (Search time: 0.01 seconds).