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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Pt/110 C4H11N_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	27-Jun-2022	arene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-882.3157067; Eh
	25-Jun-2024	/Intermediates/Rh/110 HN	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	6-Sep-2023	/Adsorptions/Zn₅Cu₈/CO-Zn₅Cu₈-configurations CO-Zn₅Cu₈-conf8	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-230.65191025; eV
	16-Jan-2026	/FG_dataset/group2/cu/111 cu-4a13-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-252.25165758; eV
	29-Jun-2020	g262101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-53.41891569; eV
	19-Mar-2026	/PTaW P01Ta02W07O34-3H-iso-3604	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-15.12015655; Eh
	19-Mar-2026	/PTaW P01Ta02W07O34-1H-iso-480	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.99422201; Eh
	11-Sep-2023	/intermediates-electric-field Cu(711)-6x6-Cu(dmphen)-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-714.92062190; eV
	25-Jun-2024	/Intermediates/Pd/110 C4H4O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-413.66753143; eV

Results 27491-27500 of 103542 (Search time: 0.016 seconds).