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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 brpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-828.290191079; Eh
	9-Nov-2018	/vacuum/complexes ch3-wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-673.889877113; Eh
	9-Nov-2018	/vacuum/complexes ch3-mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1304.56985913; Eh
	9-Nov-2018	/vacuum/complexes brwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-647.442101117; Eh
	9-Nov-2018	/vacuum/metal_frag FeCO4b3lyp_test_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-577.280707414; Eh
	9-Nov-2018	/vacuum/metal_frag conh35bb3lyp_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-427.628721314; Eh
	9-Nov-2018	/vacuum/metal_frag nipf33b3lyp_noNe	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2093.97864679; Eh
	9-Nov-2018	/vacuum/metal_frag snme3b3lyp_noNe	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-122.858738143; Eh
	9-Nov-2018	/vacuum/complexes bralcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1636.80144472; Eh
	9-Nov-2018	/vacuum/metal_frag znnh3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-282.906326662; Eh

Results 6951-6960 of 12842 (Search time: 0.006 seconds).