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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-comosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1377.8288649; Eh
	9-Nov-2018	/water//water complexes aq-coconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-541.6409351; Eh
	9-Nov-2018	/water//water complexes aq-coniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-627.4578113; Eh
	9-Nov-2018	/water//water complexes aq-cofecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1618.2091347; Eh
	9-Nov-2018	/water//water complexes aq-coznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-380.2405093; Eh
	9-Nov-2018	/water//water complexes aq-cok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-141.5938809; Eh
	9-Nov-2018	/noDisp/complexes sin-hniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-514.6876528; Eh
	12-Feb-2019	sa-OsNi-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-520.33668548; eV
	9-Nov-2018	/water//water complexes aq-clptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1079.2260057; Eh
	9-Nov-2018	/water//water complexes aq-cnoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-408.9327254; Eh

Results 21851-21860 of 103529 (Search time: 0.013 seconds).