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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 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 xewco5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-649.433807722; Eh
	9-Nov-2018	/vacuum/complexes sih3-rhh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-783.471874829; Eh
	9-Nov-2018	/vacuum/complexes tiofenozncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2161.02219881; Eh
	9-Nov-2018	/vacuum/complexes h2k_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-29.3280635673; 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 tiofenoincl2_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-1475.13126971; 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

Results 31-40 of 118 (Search time: 0.001 seconds).