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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Jul-2025	TS(II-S5)-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.25235774; Eh
	3-Jul-2025	TS(S6-VI)-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.26630327; Eh
	3-Jul-2025	TS(II-S6)-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.26697361; Eh
	3-Jul-2025	TS(II-VIIa)-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.26002792; Eh
	3-Jul-2025	TS(II-VIIb)-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.26258872; Eh
	3-Jul-2025	TS(III-IV)-P-M06	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G(D,P) GENECP	-2203.27528773; Eh
	1-Jun-2024	/Bulks/Metal-oxides r-CeO₂-bulk	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	20-May-2025	TSoa_wb97xd_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	GENECP	-3751.1607836; Eh
	20-May-2025	TSre_b3lyp_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-3751.43930282; Eh
	20-May-2025	TSoa_m06hf_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06HF	GENECP	-3751.0972721; Eh

Results 97481-97490 of 103542 (Search time: 0.058 seconds).