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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	TpBr3Cu_HNSi_s_v1_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26982.0090722; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-cf3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-528.725445019; Eh
	8-May-2018	1_TSp	Fernández, Víctor	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UM06	lanl2dz; 6-31+g(d)	-1161.81391529; Eh
	9-May-2017	/C2H4_oxidation/7 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-917.11482376; eV
	9-May-2017	/C2H4_oxidation/6 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-918.07836075; eV
	30-Jul-2020	rol3_BrCH3-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-654.88177754; eV
	9-May-2017	/C2H4_chlorination/4b initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-921.31000718; eV
	9-May-2017	/C2H4_chlorination/4a final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-917.21658077; eV
	9-May-2017	/C2H4_oxidation/10 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-926.12850246; eV
	9-May-2017	/C2H4_oxidation/8 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-901.32098148; eV

Results 17271-17280 of 104512 (Search time: 0.013 seconds).