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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	/lin/ox2 s_lin_c_34_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6069012; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_37_2_110-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6032173; Eh
	2-Oct-2021	/lin/ox2 s_lin_c_24_2_101-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6387155; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_24_2_110-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6190016; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_47_2_011-101	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6330625; Eh
	2-Oct-2021	/lin/ox1 s_lin_t_37_1_110-000	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8751103; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_47_2_110-011	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6245105; Eh
	2-Oct-2021	/lin/ox1 z_lin_c_23_1_001-001	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8950304; Eh
	2-Oct-2021	/lin/ox2 s_lin_t_23_2_011-110	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1024.6320435; Eh
	2-Oct-2021	/lin/ox1 z_lin_t_22_1_010-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.8602745; Eh

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