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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	/noDisp/complexes sin-imosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1276.1162549; Eh
	9-Nov-2018	/noDisp/complexes sin-irush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1701.7358156; Eh
	9-Nov-2018	/noDisp/complexes sin-hwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-634.5684331; Eh
	9-Nov-2018	/vacuum/complexes xezrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-407.950798097; Eh
	9-Nov-2018	/vacuum/complexes xezncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1623.54893581; Eh
	9-Nov-2018	/vacuum/complexes xeznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-298.543139661; Eh
	3-Oct-2019	water_sp2_ts_pdpme3_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.16280097; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-653.7236385; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-619.8668982; Eh
	9-Nov-2018	/noDisp/complexes sin-h2orhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-568.0002575; Eh

Results 21491-21500 of 103542 (Search time: 0.012 seconds).