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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Sep-2023	/intermediates-electric-field Cu(100)-6x6-Cu(dmphen)-E-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-880.56642416; eV
	25-Jun-2024	/Intermediates/Rh/110 C4H10N2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-583.16803352; eV
	25-Jun-2024	/Intermediates/Ag/110 C3H6S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-237.28617575; eV
	4-Sep-2023	m06hfSP_H5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06HF	6-311+G(D,P) SDD GENECP	-1139.5514205; Eh
	4-Sep-2023	m06hfSP_H3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06HF	6-311+G(D,P) SDD GENECP	-1139.5166266; Eh
	6-Sep-2024	/BP86/Nb Nb05O14-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	16-Jan-2026	/FG_dataset/amidines/ru/0001 ru-38Z6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-497.48263151; eV
	25-Jun-2024	/Intermediates/Ni/110 C3H6O2_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-432.98619394; eV
	25-Jun-2024	/Intermediates/Ir/110 C3H8O_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-662.45977629; eV
	25-Jun-2024	/Intermediates/Rh/110 C4H11N_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-

Results 29331-29340 of 103542 (Search time: 0.018 seconds).