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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-Jan-2026	/MDs/5nm/vacancy/shell0.05 sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
19-Jan-2026	/MDs/2.5nm/Odoping/shell sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
19-Jan-2026	/MDs/2.5nm/Odoping/shell wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
19-Jan-2026	/MDs/2.5nm/300K cubic	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
3-Jul-2025	VIIa-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.27271262; Eh
3-Jul-2025	VIIb-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.27377740; Eh
3-Jul-2025	S1-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.24985001; Eh
3-Jul-2025	VI-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.27283091; Eh
3-Jul-2025	V-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.27195591; Eh
19-Mar-2026	/PMoW P01Mo00W11O39-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.89311740; Eh

Results 99211-99220 of 103542 (Search time: 0.058 seconds).