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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 ozrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-467.974522680; Eh
	9-Nov-2018	/vacuum/complexes h2scucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-689.621655981; Eh
	9-Nov-2018	/vacuum/complexes ohfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1580.57356618; Eh
	9-Nov-2018	/vacuum/complexes ohptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-538.443852174; Eh
	9-Nov-2018	/vacuum/complexes ofecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1579.74771758; Eh
	9-Nov-2018	/vacuum/complexes ph3aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-571.815777158; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-887.9843579; Eh
	30-Sep-2021	/Water/TS_water ch3seh-cl-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2902.43506741; Eh
	9-Nov-2018	/noDisp/complexes sin-h2k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-29.3114046; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-745.7646941; Eh

Results 5521-5530 of 12842 (Search time: 0.005 seconds).