ioChem-BD Browse - UdG: Search

Search

previous
1
2
3
4
5
...
121
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 PRODUCT	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-2441.24498186; Eh
	2-Oct-2021	/lin/ox3 z_lin_t_27_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.326506; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.12013886; Eh
	3-Oct-2019	/C60ACET/OPTFREQ C7_66	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.26172002; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.14686589; Eh
	3-Oct-2019	/C60ACET/OPTFREQ C7P_66	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3011.80400143; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3011.69832995; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B5_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-5084.54789706; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B5P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3970.77701776; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B5P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3970.78159766; Eh

Results 11-20 of 1201 (Search time: 0.002 seconds).