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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Jan-2026	/MDs/7.5nm/Odoping/bulk wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
19-Jan-2026	/MDs/5nm/Odoping/shell cubic	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
19-Jan-2026	/MDs/5nm/Odoping/bulk cubic	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
19-Jan-2026	/MDs/5nm/Odoping/shell wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
20-Jan-2026	/MDs/7.5nm/300K wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
19-Jan-2026	/MDs/5nm/300K sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
3-Jul-2025	S3-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.25713236; Eh
3-Jul-2025	S2-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.26800385; Eh
3-Jul-2025	S4-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.23801053; Eh
19-Mar-2026	/PMoW P01Mo03W09O40-2H-iso-391910404	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.77859075; Eh

Results 98461-98470 of 103542 (Search time: 0.059 seconds).