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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	/Single-points/PBE-111kp/Ovac_subsurface na-m-sno2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-732.84643160; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_070 disp_070	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60858672; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_057 disp_057	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60727469; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_026 disp_026	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60755112; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_024 disp_024	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60723309; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_101 disp_101	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60692258; eV
	20-Jun-2025	/Mn_proj/Molecules/Mn_H2O/phonopy/disp_025 disp_025	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-91.60878581; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface so2-iro2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-967.92135462; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface so2-ruo2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1011.59904743; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Ovac_subsurface so2-sno2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-839.34259846; eV

Results 97171-97180 of 103542 (Search time: 0.059 seconds).