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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 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/ox2 s_cyc_34_43_2_101-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4304989; Eh
	2-Oct-2021	/cyc/ox2 z_cyc_34_43_2_001-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4548629; 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_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_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_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_34_34_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.428963; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_17_43_1_x00-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6883104; Eh
	2-Oct-2021	/cyc/ox1 s_cyc_17_23_1_x00-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6446406; Eh

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