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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes scnauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-970.020502250; Eh
	9-Nov-2018	/vacuum/complexes scncro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-803.881416695; Eh
	4-Jan-2022	/C-C_bond_formation/opt C_Z	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-3100.22832633; Eh
	3-Oct-2019	water_sp2_ts_pdpme3_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.14479477; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-844.9723602; Eh
	9-Nov-2018	/noDisp/complexes sin-ofecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1119.7322799; Eh
	9-Nov-2018	/noDisp/complexes sin-onbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-356.2340973; Eh
	9-Nov-2018	/noDisp/complexes sin-omosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1340.0257238; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-527.6797459; Eh
	9-Nov-2018	/noDisp/complexes sin-ohwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-709.8070814; Eh

Results 23541-23550 of 103928 (Search time: 0.012 seconds).