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

Search

previous
1
...
249
250
251
252
253
254
255
...
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-pcl3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2034.7129886; Eh
	8-Nov-2018	/water/complexes aq-ohpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-547.0658001; Eh
	8-Nov-2018	/water/complexes aq-owco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-709.3393866; Eh
	8-Nov-2018	/water/complexes aq-pcl3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2625.9746055; Eh
	8-Nov-2018	/water/complexes aq-otame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.1086921; Eh
	8-Nov-2018	/water/complexes aq-pcl3mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2051.7203664; Eh
	8-Nov-2018	/water/complexes aq-pcl3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-3345.2490157; Eh
	8-Nov-2018	/water/complexes aq-oznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-342.4121672; Eh
	8-Nov-2018	/water/complexes aq-pcl3fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-3226.8921943; Eh
	8-Nov-2018	/water/complexes aq-ohptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-694.8222019; Eh

Results 2511-2520 of 12842 (Search time: 0.004 seconds).