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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2021	/cyc//cyc ox0 s_cyc_34_43_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9544897; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_34_45_0_000-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9233398; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_34_54_0_000-0x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9108397; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_34_67_0_000-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9168843; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_34_76_0_000-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.924259; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_12_34_2_x01-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4003588; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_17_34_2_x01-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4465307; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_23_43_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3959321; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_34_34_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4672835; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_34_34_2_111-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4714202; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_34_43_2_010-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4760459; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_34_45_2_111-1x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3985069; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_34_54_2_111-1x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3935326; Eh
3-Oct-2021	/cyc//cyc ox2 d_cyc_34_76_2_111-10x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3968235; Eh
3-Oct-2021	/cyc//cyc ox2 s_cyc_12_34_2_x11-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3807934; Eh
3-Oct-2021	/cyc//cyc ox2 s_cyc_12_43_2_x11-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3996802; Eh
3-Oct-2021	/cyc//cyc ox2 s_cyc_12_43_2_x11-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3885216; Eh
3-Oct-2021	/cyc//cyc ox2 s_cyc_17_23_2_x11-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4115555; Eh
3-Oct-2021	/cyc//cyc ox2 s_cyc_17_32_2_x11-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4103705; Eh
3-Oct-2021	/cyc//cyc ox2 s_cyc_17_34_2_x11-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4315792; Eh

Showing results 21 to 40 of 867 < previous next >