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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	ol-AuAg-2113	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-170.40545961; eV
	12-Feb-2019	sa-ZnRu-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-72.02335231; eV
	24-Jul-2019	/pm7/propylene_carbonate co2	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.136085957426; Eh
	24-Jul-2019	/pm7/propylene_carbonate br_anion	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Single point TS	-	VSTO-6G ZDO	-0.180405083024; Eh
	30-Sep-2021	/Water/TS_water ch3och2ch3-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-348.957295948; Eh
	30-Sep-2021	/Water/TS_water ch3sch3-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-632.617997146; Eh
	28-Nov-2017	ol-PtNi-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-303.84503675; eV
	6-Aug-2020	/freq/intermediates/Rh/CI hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-237.58483062; eV
	23-Feb-2021	Fe3_8CO	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2051.34958394; eV
	12-Feb-2019	sa-ZnCo-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-69.95266243; eV

Results 35241-35250 of 103542 (Search time: 0.02 seconds).