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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	HE_m062x	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	DEF2TZVP	-862.49777; Eh
	16-Jan-2026	/FG_dataset/oximes/rh/111 rh-37Y1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-401.06920534; eV
	14-May-2025	/Ni_F_Ni_1/111_001_2/0/i241101 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-436.53834891; eV
	14-May-2025	/Ni_F_Ni_1/111_001_2/0/i240102 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-429.20841833; eV
	14-May-2025	/Ni_F_Ni_1/111_001_2/0/i231102 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-432.62057149; eV
	14-May-2025	/Ni_F_Ni_1/111_001_2/0/i240101 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-428.51867769; eV
	2-Jul-2025	/chem_pot/SnI4_sg205 SnI4_sg205	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-94.27516182; eV
	2-Jul-2025	/chem_pot/PEAI/scan scan	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-166.65062134; eV
	19-Mar-2026	/SiW Si01W09O31-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.29834890; Eh
	19-Mar-2026	/SiW Si00W06O21-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.23730113; Eh

Results 91931-91940 of 106051 (Search time: 0.055 seconds).