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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Sep-2024	Tc4O4H2O16_nmr	Buils, Jordi	AMS; 2021.101; r94406	Single point NMR	OPBE	TZ2P	-272.823508; eV
	17-Sep-2024	Tc20_nmr	Buils, Jordi	AMS; 2021.101; r94406	Single point NMR	OPBE	TZ2P	-934.638722; eV
	16-Jan-2026	/FG_dataset/group2b/rh/111 rh-4a12-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-414.10507552; eV
	16-Jan-2026	/FG_dataset/group2b/ru/0001 ru-4811-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-496.31504705; eV
	16-Jan-2026	/FG_dataset/group2b/ru/0001 ru-3611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-479.87232480; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-14.23060238; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-14.23007477; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-14.23172294; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/phonopy/disp_006 disp_006	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-14.23232220; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-14.23094528; eV

Results 96831-96840 of 103569 (Search time: 0.058 seconds).