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

Search

previous
1
...
184
185
186
187
188
189
190
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Aug-2016	t21	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2814.25124320; Eh
	8-Nov-2018	/water/complexes aq-h2incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-923.3450973; Eh
	8-Nov-2018	/water/complexes aq-h2hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-177.693874; Eh
	8-Nov-2018	/water/complexes aq-h2k_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-29.4519031; Eh
	8-Nov-2018	/water/complexes aq-h2oaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1592.8552819; Eh
	8-Nov-2018	/water/complexes aq-h2oincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-998.6553635; Eh
	8-Nov-2018	/water/complexes aq-h2ohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-252.9455589; Eh
	31-Aug-2016	t22	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2814.26301667; Eh
	15-Oct-2018	O2-t-m06l	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	6-31+g(d)	-150.314154363; Eh
	8-Nov-2018	/water/complexes aq-h2sZrCl5_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2747.9871569; Eh

Results 1861-1870 of 12842 (Search time: 0.004 seconds).