ioChem-BD Browse - UdG: Search

Search

previous
1
2
3
4
5
...
78
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2021	/cyc/ox1 s_cyc_34_34_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7161089; Eh
	2-Oct-2021	/lin/ox2 z_lin_c_23_2_111-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6131829; Eh
	2-Oct-2021	/lin/ox1 z_lin_t_47_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.837023; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_47_2_101-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6107334; Eh
	2-Oct-2021	/lin/ox3 d_lin_t_37_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3781737; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_17_23_1_x00-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6603136; Eh
	2-Oct-2021	/lin/ox2 d_lin_c_47_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5866332; Eh
	2-Oct-2021	/lin/ox3 z_lin_t_22_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.311648; Eh
	2-Oct-2021	/lin/ox1 s_lin_t_77_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8752341; Eh
	2-Oct-2021	/cyc/ox1 d_cyc_23_43_1_100-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6349913; Eh

Results 11-20 of 780 (Search time: 0.002 seconds).