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

Search

previous
1
...
2229
2230
2231
2232
2233
2234
2235
...
10353
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 ohptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-694.500638570; Eh
	9-Nov-2018	/vacuum/complexes ohcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-442.716192554; 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
	4-Jan-2022	/C-C_bond_formation/opt/Single_Points TS2_E_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.1405763; 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
	9-Nov-2018	/vacuum/complexes xezncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-1623.54111369; Eh

Results 22311-22320 of 103529 (Search time: 0.013 seconds).