ioChem-BD Browse - UdG: Search

Search

previous
1
...
3
4
5
6
7
8
9
...
21
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	/C60ACET/OPTFREQ A7PA8P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3011.69540920; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A8	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.21604562; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A3P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-2798.09392815; Eh
	3-Oct-2019	/C60ACET/SPE B5P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-3971.0175093; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A6PA8P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3011.68934643; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A6PA7P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3011.71763021; Eh
	3-Oct-2019	/ACET/SPE B5B6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.1736592; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A7A8_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4048.15432672; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A7P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3011.72341494; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A6P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3011.73701702; Eh

Results 51-60 of 205 (Search time: 0.0 seconds).