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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	i220102+i100101-i320102+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-157.08651275; eV
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-oh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-347.471746521; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-sch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-709.787176482; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-och3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-386.785515173; Eh
	28-Jul-2021	Ta8O25_3H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-11.95325834; Eh
	28-Jul-2021	Ta8O25_4H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-11.95911228; Eh
	29-Jul-2021	i220101+i121102-i34110c+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-171.38081175; eV
	29-Jul-2021	i212102+i121102-i333108+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-181.53812026; eV
	29-Jul-2021	i212202+i100101-i312303+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-167.14404093; eV
	29-Jul-2021	i220102+i120101-i340104+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-164.80597687; eV

Results 59711-59720 of 104128 (Search time: 0.034 seconds).