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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ioso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-327.466124626; Eh
	9-Nov-2018	/vacuum/complexes halcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1623.93547388; Eh
	8-May-2019	/FeN4-OH FeN4-OH-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-661.90131354; eV
	30-Sep-2021	/Water/TS_water ch3ph2-cf3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-720.268898263; Eh
	9-Nov-2018	/vacuum/complexes nchircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-997.334993183; Eh
	9-Nov-2018	/vacuum/complexes nchconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.159817368; Eh
	9-Nov-2018	/vacuum/complexes ifeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-588.870938381; Eh
	9-Nov-2018	/vacuum/complexes nchpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-908.087756267; Eh
	9-Nov-2018	/vacuum/complexes nchticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1532.30360088; Eh
	9-Nov-2018	/vacuum/complexes h2znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-267.939585366; Eh

Results 25471-25480 of 104445 (Search time: 0.015 seconds).