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

Search

previous
1
...
315
316
317
318
319
320
321
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-nchptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-712.2647129; Eh
	8-Nov-2018	/water/complexes aq-nchrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-585.6716199; Eh
	8-Nov-2018	/water/complexes aq-nchpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-908.1621387; Eh
	8-Nov-2018	/water/complexes aq-nchnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-374.2448497; Eh
	8-Nov-2018	/water/complexes aq-nchpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-564.5553187; Eh
	8-Nov-2018	/water/complexes aq-nchniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.5469041; Eh
	8-Nov-2018	/water/complexes aq-nchoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-409.2849653; Eh
	9-Nov-2018	/vacuum/complexes nh2mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1320.64382899; Eh
	8-Nov-2018	/water/complexes aq-nchauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-572.2528877; Eh
	8-Nov-2018	/water/complexes aq-iZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2360.2114395; Eh

Results 3171-3180 of 12842 (Search time: 0.004 seconds).