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Showing results 1325 to 1344 of 5692 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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_32_2_x11-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3978513; 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/ox2 s_cyc_17_43_2_x11-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4412296; Eh
2-Oct-2021	/cyc/ox2 s_cyc_17_71_2_x11-x11	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4116883; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4147503; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_011-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3964427; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4128183; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3980149; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_101-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.385952; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4011969; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3800773; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_34_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3745429; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_43_2_011-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4151918; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_43_2_011-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3904; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_43_2_011-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3863286; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_43_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4120134; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_43_2_101-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3954012; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_43_2_101-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3849623; Eh
2-Oct-2021	/cyc/ox2 s_cyc_23_43_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4006996; Eh

Showing results 1325 to 1344 of 5692 < previous next >