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Showing results 1030 to 1049 of 4602 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2021	/cyc//cyc ox0 s_cyc_17_23_0_x00-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8987665; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_17_32_0_x00-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8979831; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_17_34_0_x00-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9364339; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_17_43_0_x00-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9383137; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_17_71_0_x00-x00	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9160274; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_23_34_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9038993; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_23_43_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9021168; Eh
3-Oct-2021	/cyc//cyc ox0 s_cyc_34_34_0_000-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.9517213; Eh
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

Showing results 1030 to 1049 of 4602 < previous next >