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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2024	/metal-SDC-interface/Ni-Ce₃SmO₇ Ni-Ce₃SmO₇-conf2a	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇ M-CO2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group2b/ru/0001 ru-4a12-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-503.45899799; eV
	16-Jan-2026	/FG_dataset/group2b/ru/0001 ru-4a11-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-503.42902873; eV
	16-Jan-2026	/FG_dataset/group2b/au/111 au-4811-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-223.47092305; eV
	18-Jun-2025	ch2oho	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-190.319286339; Eh
	18-Jun-2025	hcho	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-114.500472578; Eh
	18-Jun-2025	oh	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-75.7207737663; Eh
	18-Jun-2025	wo3_o2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2285.08196851; eV
	18-Jun-2025	hcho_gas	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-22.13025682; eV

Results 97611-97620 of 103542 (Search time: 0.066 seconds).