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

Search

previous
1
...
575
576
577
578
579
580
581
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-shrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-890.941073; Eh
	9-Nov-2018	/noDisp/complexes sin-shtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-615.4783449; Eh
	9-Nov-2018	/noDisp/complexes sin-shnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-679.7385335; Eh
	9-Nov-2018	/noDisp/complexes sin-shZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2747.2863257; Eh
	9-Nov-2018	/noDisp/complexes sin-shmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-728.750547; Eh
	9-Nov-2018	/noDisp/complexes sin-sk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-426.5340303; Eh
	9-Nov-2018	/noDisp/complexes sin-sfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1902.7512983; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-709.6526318; Eh
	9-Nov-2018	/vacuum/complexes fenilomeconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-774.423151051; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1607.5488391; Eh

Results 5771-5780 of 12842 (Search time: 0.006 seconds).