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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water/metal_frag aq-aucl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1516.3828649; Eh
	9-Nov-2018	/water/ligands aq-scnb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-491.1809061; Eh
	9-Nov-2018	/water/metal_frag aq-ircoph32b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-903.9492345; Eh
	9-Nov-2018	/water/metal_frag aq-rush4b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1690.1823713; Eh
	9-Nov-2018	/water/metal_frag aq-cro3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-312.6847663; Eh
	9-Nov-2018	/water/metal_frag aq-znch3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-266.9221951; Eh
	9-Nov-2018	/water/metal_frag aq-mno3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-329.6630433; Eh
	9-Nov-2018	/water/metal_frag aq-alcl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1623.2351972; Eh
	9-Nov-2018	/water/ligands aq-sime3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-409.3312962; Eh
	9-Nov-2018	/water/ligands aq-piridinab3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-248.3011298; Eh

Results 14511-14520 of 104583 (Search time: 0.011 seconds).