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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2019	/CoN4-OH CoN4-OH-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-660.41875735; eV
	4-Jan-2022	/C-C_bond_formation/opt/Single_Points C_Z_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.148402; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-hcooo-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-646.937401336; Eh
	9-Nov-2018	/vacuum/complexes pme3yh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-880.788540722; Eh
	9-Nov-2018	/vacuum/complexes pcl3zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2114.42050837; Eh
	9-Nov-2018	/vacuum/complexes pme3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-637.596915550; Eh
	9-Nov-2018	/vacuum/complexes pme3cuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-698.406915748; Eh
	9-Nov-2018	/vacuum/complexes pf3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1155.10441506; Eh
	9-Nov-2018	/vacuum/complexes pf3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2023.80079502; Eh
	9-Nov-2018	/vacuum/complexes pcl3aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1950.65735366; Eh

Results 23001-23010 of 103529 (Search time: 0.015 seconds).