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

Search

previous
1
...
425
426
427
428
429
430
431
...
566
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ch3-alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1663.26559263; Eh
	9-Nov-2018	/vacuum/complexes ch3-ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-944.012816596; Eh
	9-Nov-2018	/vacuum/complexes ch3-rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-532.073763185; Eh
	9-Nov-2018	/vacuum/complexes brtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-230.113574069; Eh
	9-Nov-2018	/vacuum/complexes ch3-conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-468.131863882; Eh
	9-Nov-2018	/vacuum/complexes ch3-cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-406.786782422; Eh
	9-Nov-2018	/vacuum/complexes brcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-380.312474719; Eh
	9-Nov-2018	/vacuum/complexes brZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2361.92568307; Eh
	9-Nov-2018	/vacuum/complexes brnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-294.370111160; Eh
	9-Nov-2018	/vacuum/metal_frag yh2o5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-419.565208454; Eh

Results 4271-4280 of 5658 (Search time: 0.006 seconds).