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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/ligands sin-nhcb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-226.179735; Eh
	9-Nov-2018	/vacuum/complexes xek_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-43.6834177187; Eh
	9-Nov-2018	/vacuum/complexes tiofenofecl3-bai_newfix3freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-2057.81825186; Eh
	9-Nov-2018	/vacuum/complexes xecrh2o5trip_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-484.182284328; Eh
	9-Nov-2018	/vacuum/complexes orhh2o5_new2_fix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-567.694632686; Eh
	9-Nov-2018	/vacuum/complexes ofenoyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-649.685650761; Eh
	9-Nov-2018	/vacuum/complexes ofenosnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-352.928997494; Eh
	9-Nov-2018	/vacuum/complexes xehgi2_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	sdd	-191.993872548; Eh
	9-Nov-2018	/noDisp/ligands sin-nchb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-93.4261843; Eh
	9-Nov-2018	/noDisp/ligands sin-cob3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-113.3152256; Eh

Results 4501-4510 of 12842 (Search time: 0.005 seconds).