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

Search

previous
1
...
1093
1094
1095
1096
1097
1098
1099
...
1236
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-clfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1965.0019186; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-872.6956424; Eh
	9-Nov-2018	/noDisp/complexes sin-h2feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-578.4719592; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-905.0332311; Eh
	9-Nov-2018	/noDisp/complexes sin-h2cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-367.6376967; Eh
	9-Nov-2018	/noDisp/complexes sin-h2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-815.7964641; Eh
	9-Nov-2018	/noDisp/complexes sin-h2pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-472.2782416; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-746.1991929; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1068.8454442; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-725.1334711; Eh

Results 10951-10960 of 12354 (Search time: 0.008 seconds).