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

Search

previous
1
...
1140
1141
1142
1143
1144
1145
1146
...
1236
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-clalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2083.6892599; Eh
	9-Nov-2018	/water//water complexes aq-ch3-ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-658.920773; Eh
	9-Nov-2018	/water//water complexes aq-ch3-ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2388.6277619; Eh
	9-Nov-2018	/water//water complexes aq-ch3-pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-854.7540886; Eh
	9-Nov-2018	/water//water complexes aq-ch3-rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1730.2430725; Eh
	9-Nov-2018	/water//water complexes aq-ch3-wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-673.9512074; Eh
	9-Nov-2018	/water//water complexes aq-ch3-mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-369.8806094; Eh
	9-Nov-2018	/water//water complexes aq-ch3-niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.1017; Eh
	9-Nov-2018	/water//water complexes aq-clfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1965.2856083; Eh
	9-Nov-2018	/water//water complexes aq-clk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-488.6594718; Eh

Results 11421-11430 of 12354 (Search time: 0.008 seconds).