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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 ohcucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-366.147407473; Eh
	9-Nov-2018	/vacuum/complexes ohfecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1580.62750121; Eh
	9-Nov-2018	/vacuum/complexes ohaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1592.35217632; Eh
	9-Nov-2018	/vacuum/complexes ocucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-365.363967788; Eh
	9-Nov-2018	/vacuum/complexes oaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-303.797279647; Eh
	19-Mar-2026	/Nb Nb05O14-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.49207788; Eh
	12-Feb-2019	sa-AuNi-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-158.20564980; eV
	12-Feb-2019	sa-AuIr-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-160.75763165; eV
	12-Feb-2019	sa-AuCu-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-156.68252248; eV
	9-Nov-2018	/vacuum/complexes fenilno2aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1952.72793103; Eh

Results 23841-23850 of 103928 (Search time: 0.013 seconds).