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Showing results 1183 to 1202 of 4618 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Oct-2021	/cyc/ox1 z_cyc_12_71_1_x10-x10	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.5958634; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_17_1_x10-x01	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.620943; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_17_1_x10-x10	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6038835; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_23_1_x01-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6486584; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_23_1_x01-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6228477; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_23_1_x10-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6369853; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_23_1_x10-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.613723; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_23_1_x10-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6149889; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_32_1_x01-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6308529; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_32_1_x10-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6310529; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_32_1_x10-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6119046; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_32_1_x10-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6178671; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_34_1_x01-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6694322; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_34_1_x10-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6596993; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_34_1_x10-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6756445; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_34_1_x10-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6644864; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_43_1_x01-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6843969; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_43_1_x01-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6960003; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_43_1_x10-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6613782; Eh
2-Oct-2021	/cyc/ox1 z_cyc_17_43_1_x10-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6826783; Eh

Showing results 1183 to 1202 of 4618 < previous next >