ioChem-BD Browse - UdG: Search

Search

previous
1
...
74
75
76
77
78
79
80
...
83
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2021	/cyc/ox2 s_cyc_34_54_2_101-1x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.400984; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_34_43_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4616408; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_12_17_2_x11-x11	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3524575; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_34_34_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4356072; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_17_32_2_x11-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4024248; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_17_34_2_x11-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4301531; Eh
	2-Oct-2021	/cyc/ox1 z_cyc_34_54_1_001-1x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6209806; Eh
	2-Oct-2021	/cyc/ox2 d_cyc_17_43_2_x01-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4545246; Eh
	2-Oct-2021	/cyc/ox2 z_cyc_34_76_2_111-01x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3989766; Eh
	2-Oct-2021	/cyc/ox2 d_cyc_23_43_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4077082; Eh

Results 761-770 of 830 (Search time: 0.001 seconds).