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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Sep-2023	dsty-bcca	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-775.773014535; Eh
	8-Sep-2023	b5ldeprot-trans-caa	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UPBE1PBE	6-31+G(D,P)	-774.668187424; Eh
	8-Sep-2023	b5ldeprot-trans-cac	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UPBE1PBE	6-31+G(D,P)	-774.662785733; Eh
	8-Sep-2023	b5ldeprot-trans-cab	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UPBE1PBE	6-31+G(D,P)	-774.661571771; Eh
	8-Sep-2023	b5ldeprot-trans-baa	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UPBE1PBE	6-31+G(D,P)	-774.667137245; Eh
	8-Sep-2023	b5ldeprot-trans-bab	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UPBE1PBE	6-31+G(D,P)	-774.667177175; Eh
	8-Sep-2023	b5ldeprot-trans-bac	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UPBE1PBE	6-31+G(D,P)	-774.667385964; Eh
	12-Sep-2023	/NNP_application/annealing_convergence_test/annealing_temperature/900 42	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	12-Sep-2023	/NNP_application/annealing_convergence_test/annealing_temperature/900 43	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	12-Sep-2023	/NNP_application/annealing_convergence_test/annealing_temperature/900 44	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

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