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

Search

previous
1
...
223
224
225
226
227
228
229
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2018	t9_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3504.74831681; Eh
	29-Jan-2018	t_2a-2´	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-2924.19432621; Eh
	29-Jan-2018	t4	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2735.71101326; Eh
	8-Nov-2018	/water/complexes aq-scnniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1005.3107133; Eh
	8-Nov-2018	/water/complexes aq-salcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2021.7909942; Eh
	9-Nov-2018	/vacuum/complexes nme3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1078.40556422; Eh
	9-Nov-2018	/vacuum/complexes nme3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-202.666927904; Eh
	29-Jan-2018	t_2a-2´_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-3077.72231883; Eh
	29-Jan-2018	t_8-9_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-3504.75020366; Eh
	29-Jan-2018	t3_nap	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3077.73596707; Eh

Results 2251-2260 of 12842 (Search time: 0.004 seconds).