ioChem-BD Browse - UdG: Search

Search

previous
1
2
3
4
...
123
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2021	/lin/ox1 s_lin_t_44_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8744546; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_44_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6124207; Eh
	2-Oct-2021	/lin/ox3 z_lin_t_24_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3371786; Eh
	3-Oct-2019	/C60ACET/OPTFREQ C6_56	Artigas, Albert	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.17080257; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_23_34_1_000-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.642508; Eh
	3-Oct-2019	/C60ACET/OPTFREQ C60	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-2286.42777924; Eh
	3-Oct-2019	/C60ACET/OPTFREQ PRODUCT_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-2441.21764099; Eh
	3-Oct-2019	/C60ACET/OPTFREQ WILKINSON	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3679.83632014; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3011.67550807; Eh
	3-Oct-2019	/C60ACET/OPTFREQ PRODUCT	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-2441.24498186; Eh

Results 1-10 of 1223 (Search time: 0.001 seconds).