ioChem-BD Browse - UdG: Search

Search

previous
1
...
67
68
69
70
71
72
73
...
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 z_cyc_23_34_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6298579; Eh
	2-Oct-2021	/cyc/ox3 d_cyc_23_34_3_111-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1022.1478004; Eh
	2-Oct-2021	/cyc/ox1 z_cyc_17_43_1_x10-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6613782; Eh
	2-Oct-2021	/cyc/ox1 z_cyc_17_32_1_x01-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6308529; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_17_32_1_x00-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6364021; Eh
	2-Oct-2021	/cyc/ox1 z_cyc_12_71_1_x10-x01	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6174983; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_34_45_2_101_1x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4009262; Eh
	2-Oct-2021	/cyc/ox1 z_cyc_34_67_1_010-01x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6427785; Eh
	2-Oct-2021	/cyc/ox1 d_cyc_23_43_1_001-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6632542; Eh
	2-Oct-2021	/cyc/ox1 z_cyc_12_17_1_x10-x10	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5671659; Eh

Results 691-700 of 780 (Search time: 0.001 seconds).