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

Search

previous
1
...
439
440
441
442
443
444
445
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-cnrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-584.9579151; Eh
	9-Nov-2018	/noDisp/complexes sin-coauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-592.0455001; Eh
	9-Nov-2018	/noDisp/complexes sin-cnrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1783.1291351; Eh
	9-Nov-2018	/noDisp/complexes sin-cnZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2441.3322943; Eh
	9-Nov-2018	/noDisp/complexes sin-cnwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-726.85679; Eh
	9-Nov-2018	/noDisp/complexes sin-cok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-141.4727271; Eh
	9-Nov-2018	/vacuum/complexes sime3snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-532.413333388; Eh
	9-Nov-2018	/vacuum/complexes tiofenohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-729.488755217; Eh
	9-Nov-2018	/vacuum/complexes tiofenoaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-781.663329694; Eh
	9-Nov-2018	/vacuum/complexes ph3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-658.677537669; Eh

Results 4411-4420 of 12842 (Search time: 0.006 seconds).