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

Search

previous
1
...
1175
1176
1177
1178
1179
1180
1181
...
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-h2omno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-406.0390272; Eh
	9-Nov-2018	/noDisp/complexes sin-fptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-718.534306; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ocro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-389.1286242; Eh
	9-Nov-2018	/noDisp/complexes sin-fmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1364.548901; Eh
	9-Nov-2018	/vacuum/complexes xefecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1520.35016481; Eh
	9-Nov-2018	/noDisp/complexes sin-fwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-733.8605119; Eh
	9-Nov-2018	/noDisp/complexes sin-falcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1723.2712215; Eh
	9-Nov-2018	/vacuum/complexes xecucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-305.745126763; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1135.7437193; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1046.4776096; Eh

Results 11771-11780 of 12354 (Search time: 0.01 seconds).