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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Feb-2023	Compound6_2Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3402.95733330; Eh
	9-Feb-2023	Compound4_1Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3395.50925196; Eh
	9-Feb-2023	Compound4_2Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3402.91626469; Eh
	3-Oct-2021	/cyc//cyc ox2 s_cyc_17_43_2_x11-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4374315; Eh
	3-Oct-2021	/cyc//cyc ox2 z_cyc_17_32_2_x01-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.376276; Eh
	3-Oct-2021	/cyc//cyc ox2 z_cyc_34_54_2_111-0x1	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3974662; Eh
	3-Oct-2021	/cyc//cyc ox2 s_cyc_17_43_2_x11-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4368834; Eh
	3-Oct-2021	/cyc//cyc ox2 d_cyc_17_34_2_x01-111	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4465307; Eh
	3-Oct-2021	/cyc//cyc ox2 d_cyc_34_76_2_111-10x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.3968235; Eh
	3-Oct-2021	/cyc//cyc ox2 s_cyc_34_43_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4304599; Eh

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