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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 nh3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-871.228769120; Eh
	9-Nov-2018	/vacuum/complexes ohrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1766.09390983; Eh
	9-Nov-2018	/vacuum/complexes ohZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2424.33844573; Eh
	9-Nov-2018	/vacuum/complexes ohwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-709.819533414; Eh
	9-Nov-2018	/vacuum/complexes ohticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1515.01603901; Eh
	4-Jan-2022	/C-C_bond_formation/opt/Single_Points D_Z_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.1609945; Eh
	9-Nov-2018	/noDisp/complexes sin-cnircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-996.9636533; Eh
	9-Nov-2018	/noDisp/complexes sin-clircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1364.3456853; Eh
	9-Nov-2018	/noDisp/complexes sin-cltame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-676.9165006; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1730.1550062; Eh

Results 22961-22970 of 103529 (Search time: 0.014 seconds).