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

Search

previous
1
...
1172
1173
1174
1175
1176
1177
1178
...
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-inbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.3914867; Eh
	9-Nov-2018	/noDisp/complexes sin-ncscro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-803.89305; Eh
	9-Nov-2018	/noDisp/complexes sin-iticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1450.5978581; Eh
	9-Nov-2018	/noDisp/complexes sin-nchpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-908.0787416; Eh
	9-Nov-2018	/noDisp/complexes sin-nchcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-406.1320518; Eh
	9-Nov-2018	/noDisp/complexes sin-ipdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-826.3204426; Eh
	9-Nov-2018	/noDisp/complexes sin-hptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-619.2694492; Eh
	9-Nov-2018	/noDisp/complexes sin-imosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1276.1162549; Eh
	9-Nov-2018	/noDisp/complexes sin-irush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1701.7358156; Eh
	9-Nov-2018	/noDisp/complexes sin-hwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-634.5684331; Eh

Results 11741-11750 of 12354 (Search time: 0.01 seconds).