ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
1180
1181
1182
1183
1184
1185
1186
...
1236
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes smeniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-952.268793569; Eh
	9-Nov-2018	/vacuum/complexes smeaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1954.66468320; Eh
	9-Nov-2018	/vacuum/complexes ph3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-709.672930111; Eh
	9-Nov-2018	/vacuum/complexes optf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-693.591076091; Eh
	9-Nov-2018	/vacuum/complexes orush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1765.38393711; Eh
	9-Nov-2018	/vacuum/complexes omosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1340.03248573; 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 ohznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-342.906725648; Eh
	9-Nov-2018	/vacuum/complexes oznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-342.295305117; Eh
	9-Nov-2018	/vacuum/complexes ooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-391.596878757; Eh

Results 11821-11830 of 12354 (Search time: 0.009 seconds).