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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_newfix3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.4116654; Eh
	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
	30-Sep-2021	/Water/TS_water ch3seh-seh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-4844.33672298; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1592.8266508; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2349.6779654; Eh
	9-Nov-2018	/noDisp/complexes sin-h2szncl3_newfix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2007.3911062; Eh
	9-Nov-2018	/noDisp/complexes sin-h2conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-428.7924615; Eh
	9-Nov-2018	/noDisp/complexes sin-srhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-890.6989378; Eh
	9-Nov-2018	/noDisp/complexes sin-sptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1016.6546147; Eh

Results 4241-4250 of 12842 (Search time: 0.005 seconds).