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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Molecules/H2O/scan/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15.09660714; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/scan/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15.09251445; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/scan/phonopy/disp_006 disp_006	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15.09351829; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/scan/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15.09709029; eV
	18-Jun-2025	wo3_h2o2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2295.20555780; eV
	18-Jun-2025	h2o_gas	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-14.21757269; eV
	20-Jun-2025	/Mn_proj/Molecules/H2O/scan/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15.09438856; eV
	18-Jun-2025	inter_1-	Naeem, Muhammad Saad	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D)	-265.442582410; Eh
	20-Jun-2025	/Mn_proj/Molecules/H2O/scan/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15.09649596; eV
	18-Jun-2025	inter_1	Naeem, Muhammad Saad	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D)	-266.067353508; Eh

Results 99371-99380 of 103542 (Search time: 0.053 seconds).