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

Search

previous
1
...
19
20
21
22
23
24
25
...
29
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Int2_b Int2_b	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2868.96804574; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-2868.96473334; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2869.03384722; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/QST3 QST3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-31G*	-2868.27300162; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Int3 Int3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2868.96697119; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Reactants/CAT CAT	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1179.50195175; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Int2_chelate Int2_chelate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2868.98335598; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan_l Scan_l	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2868.26952266; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan/Close Close	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2868.27353454; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Poly/Scans/Scan_isom Scan_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-3177.93879761; Eh

Results 211-220 of 281 (Search time: 0.001 seconds).