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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-Jul-2023	monomer_4	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-575.430517907; Eh
8-Jul-2023	monomer_10	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-554.268503230; Eh
8-Jul-2023	monomer_1-open	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-508.157599659; Eh
8-Jul-2023	monomer_7	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-825.712608985; Eh
8-Jul-2023	monomer_9	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-1334.84624905; Eh
8-Jul-2023	monomer_5	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-555.573874458; Eh
8-Jul-2023	monomer_8	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-712.691068867; Eh
8-Jul-2023	monomer_6	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-594.849410367; Eh
8-Jul-2023	ethylene	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-78.5126886880; Eh
8-Jul-2023	monomer_3	Barroso, Jorge	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-614.266051963; Eh

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