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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Sep-2025	/Catalysts PdporeCl-pyPPC	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-245.12509256; eV
	19-Mar-2026	/AsMoW As01Mo09W02O39-1H-iso-8074200	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.17440560; Eh
	19-Mar-2026	/AsMoW As01Mo05W06O39-0H-iso-21795913	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.40323941; Eh
	19-Mar-2026	/AsMoW As01Mo05W07O40-0H-iso-21977764	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.60719267; Eh
	19-Mar-2026	/AsMoW As01Mo04W05O31-2H-iso-2593	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.66896098; Eh
	19-Mar-2026	/AsMoW As01Mo03W08O39-0H-iso-241922	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.52541158; Eh
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41634215; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41759667; eV
	19-Nov-2024	/Ag/MD/K_72_H2O_CO2_SS_IP/slow_growth/K_move 3	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1375.36166786; eV
	19-Nov-2024	/Ag/MD/K_72_H2O_CO2_SS_IP/slow_growth/K_move 1	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1376.02501636; eV

Results 85071-85080 of 104079 (Search time: 0.05 seconds).