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

Search

previous
1
...
228
229
230
231
232
233
234
...
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-piridinacro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-561.0607934; Eh
	8-Nov-2018	/water/complexes aq-piridinacunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-615.1481853; Eh
	8-Nov-2018	/water/complexes aq-ph3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1157.8813781; Eh
	8-Nov-2018	/water/complexes aq-ph3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-659.0529585; Eh
	8-Nov-2018	/water/complexes aq-ph3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-857.2548137; Eh
	8-Nov-2018	/water/complexes aq-ph3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-814.2770453; Eh
	8-Nov-2018	/water/complexes aq-ph3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-962.001527; Eh
	8-Nov-2018	/water/complexes aq-ph3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-835.4026863; Eh
	8-Nov-2018	/water/complexes aq-ph3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-559.6679955; Eh
	8-Nov-2018	/water/complexes aq-ph3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2691.7442935; Eh

Results 2301-2310 of 12842 (Search time: 0.004 seconds).