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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2021	/cyc/ox1 s_cyc_17_71_1_x00-x11	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6641705; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_12_43_1_x11-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6494251; 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/ox1 d_cyc_34_67_1_010-10x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6323126; Eh
	2-Oct-2021	/cyc/ox2 s_cyc_34_43_2_011-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4532504; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_34_43_1_000-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.7099584; Eh
	2-Oct-2021	/cyc/ox1 d_cyc_34_43_1_010-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.714869; Eh
	2-Oct-2021	/cyc/ox1 d_cyc_34_43_1_100-100	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6995592; 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
	2-Oct-2021	/cyc/ox1 s_cyc_12_34_1_x00-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6461358; Eh

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