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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 h2sZrCl5_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2747.91336100; Eh
	9-Nov-2018	/vacuum/complexes ofenonipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2324.03062221; Eh
	9-Nov-2018	/vacuum/complexes pf3zncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2249.00332747; Eh
	9-Nov-2018	/vacuum/complexes sZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2746.52717684; Eh
	9-Nov-2018	/vacuum/complexes ofenoniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-744.117703367; Eh
	9-Nov-2018	/vacuum/complexes szncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2005.94116973; Eh
	9-Nov-2018	/noDisp/ligands sin-cnb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-92.8629081; Eh
	9-Nov-2018	/noDisp/ligands sin-hb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-0.4618167; Eh
	9-Nov-2018	/vacuum/complexes sime3rhh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-901.485965482; Eh
	9-Nov-2018	/vacuum/complexes tiofenoyh2o5_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-972.659836838; Eh

Results 11361-11370 of 12354 (Search time: 0.009 seconds).