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

Search

previous
1
...
1187
1188
1189
1190
1191
1192
1193
...
1236
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 ofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-652.426692775; Eh
	9-Nov-2018	/vacuum/complexes ohconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-504.052195354; Eh
	9-Nov-2018	/vacuum/complexes ohauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.776564037; Eh
	9-Nov-2018	/vacuum/complexes ohpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-890.669961816; Eh
	9-Nov-2018	/vacuum/complexes ohalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1699.22196215; Eh
	9-Nov-2018	/vacuum/complexes ohcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-388.653427136; Eh
	9-Nov-2018	/noDisp/ligands sin-clb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-460.2714634; Eh
	9-Nov-2018	/vacuum/complexes xefecl3-bai_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-1520.33857139; Eh
	9-Nov-2018	/vacuum/complexes heZrCl5_newfix3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2351.42051291; Eh
	9-Nov-2018	/vacuum/complexes h2ZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2349.68970507; Eh

Results 11891-11900 of 12354 (Search time: 0.01 seconds).