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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine cl-o-ceo2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-295.12253873; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_099 disp_099	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60917552; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_068 disp_068	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60841111; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_112 disp_112	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60811249; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_080 disp_080	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60890828; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_098 disp_098	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60853652; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_067 disp_067	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60827962; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_111 disp_111	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60769530; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface h2-het-a-iro2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-956.43230666; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface h2-het-a-cao	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-432.40009946; eV

Results 98981-98990 of 103542 (Search time: 0.057 seconds).