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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/SiTaW Si01Ta01W10O39-0H-iso-3265920	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.18060217; Eh
	22-Sep-2023	A-e	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2290.15018535; Eh
	25-Jun-2024	/Intermediates/Pt/110 C8H10_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-526.09043758; eV
	25-Jun-2024	/Intermediates/Rh/110 C8H10_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-602.99519714; eV
	31-Jan-2022	/Periodic_Surface HS_Co-H2O_Surface	Hegner, Franziska Simone	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-708.86057321; eV
	29-Jan-2024	Zr_TS1	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	31-Jan-2022	/Periodic_Surface HS_Co-OH_Surface	Hegner, Franziska Simone	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-703.40696650; eV
	19-Mar-2026	/SiTaW Si01Ta03W08O39-1H-iso-31933458	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.45145949; Eh
	19-Mar-2026	/SiTaW Si01Ta02W10O40-1H-iso-12	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.62665595; Eh
	19-Mar-2026	/PTaW P01Ta02W09O39-2H-iso-3604	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.21669055; Eh

Results 28291-28300 of 103542 (Search time: 0.016 seconds).