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Showing results 1227 to 1246 of 4602 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/cyc/ox1 z_cyc_34_45_1_010-0x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.654138; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_45_1_010-1x0	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6409368; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_45_1_100-0x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6463045; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_54_1_001-0x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6334623; 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/ox1 z_cyc_34_54_1_010-0x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6446859; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_54_1_100-0x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6380435; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_67_1_001-01x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6349088; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_67_1_001-10x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6158192; 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 z_cyc_34_67_1_100-01x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6387624; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_76_1_001-01x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6310133; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_76_1_001-10x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6284711; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_76_1_010-01x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6490047; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_76_1_010-10x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6409284; Eh
2-Oct-2021	/cyc/ox1 z_cyc_34_76_1_100-01x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6411243; Eh
2-Oct-2021	/cyc/ox2 d_cyc_12_43_2_x01-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4064961; Eh
2-Oct-2021	/cyc/ox2 d_cyc_17_23_2_x01-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4033674; 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 d_cyc_23_34_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4119691; Eh

Showing results 1227 to 1246 of 4602 < previous next >