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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/complexes sin-heZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.396824; Eh
	9-Nov-2018	/noDisp/complexes sin-ihgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-188.0374488; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromTHF	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.29269784; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-998.5466187; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-732.9702207; Eh
	9-Nov-2018	/noDisp/complexes sin-swco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1032.1039552; Eh
	9-Nov-2018	/noDisp/complexes sin-spdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1213.0846214; Eh
	9-Nov-2018	/noDisp/complexes sin-spdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-869.2445321; Eh
	9-Nov-2018	/noDisp/complexes sin-soso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-714.5819608; Eh
	3-Oct-2019	ircrev_water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall6	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.30878901; Eh

Results 11581-11590 of 12354 (Search time: 0.009 seconds).