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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/RuNi NiRu-C1-C6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-618.97820206; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/RuNi NiRu-C7	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.42625083; eV
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/intermediario_O opt_intermediario_O	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-2553.97226535; Eh
	26-Aug-2025	/funcionais/m06/OH2 opt_se-met_2OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	6-311+g(d)	-2632.47049874; Eh
	19-Mar-2026	/AsMoW As01Mo11W01O40-0H-iso-43954713	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.23856793; Eh
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_007 disp_007	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42913116; eV
	2-Jul-2025	/Bulk_structure/WO4_2/phonon phonon	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-21.81152132; eV
	2-Jul-2025	/Bulk_structure/WO4_2/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-13.92569535; eV
	2-Jul-2025	/Bulk_structure/WO3 WO3	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-5032.44575657; eV
	2-Jul-2025	/Bulk_structure/W/phonon phonon	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-4.05722773; eV

Results 83281-83290 of 104124 (Search time: 0.05 seconds).