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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Feb-2025	/coverages/CO_ML/smaller_unit_cell/5_9_ML 11_b_4_21_10	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-204.72311915; eV
	24-Feb-2025	bulk_Co	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-28.07583780; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_020 disp_020	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61802082; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_202 disp_202	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61310356; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_127 disp_127	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.62191008; eV
	6-Sep-2024	/M06L/Mo Mo07O23-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	30-Aug-2025	VIIb-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.68180495; Eh
	30-Aug-2025	VIIa-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.67717054; Eh
	30-Aug-2025	S5-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.62765069; Eh
	30-Aug-2025	S1-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.63538754; Eh

Results 3951-3960 of 101953 (Search time: 0.006 seconds).