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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_013 disp_013	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42664128; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_012 disp_012	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42955788; eV
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-37N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-312.63629850; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/RuNi-Ni NiRu-Ni-C3-C4-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.93919801; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/RuNi NiRu-C3-C4-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.26216556; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/RuNi NiRu-C1-C6-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-616.32767163; eV
	19-Mar-2026	/AsMoW As01Mo04W07O39-1H-iso-2419273	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.47476086; Eh
	19-Mar-2026	/AsMoW As01Mo03W06O31-1H-iso-242496	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.79193350; Eh
	19-Mar-2026	/AsMoW As01Mo05W07O40-0H-iso-1816569	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.60749920; Eh
	19-Mar-2026	/AsMoW As01Mo01W02O13-2H-iso-0	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-5.28218415; Eh

Results 82661-82670 of 104124 (Search time: 0.05 seconds).