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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Pd/100 H2O_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Os/0001 2522-2414+0111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Ir/111 1101-1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	DFT	-	-
	2-Feb-2026	/Cu/phonopy_simulation/c2/CHCO/phonopy 0004_002	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	2-Feb-2026	/Cu/GC_simulation/3.57/SO4 SO4	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-353.92951904; eV
	2-Feb-2026	/Cu/GC_simulation/3.57/clean clean	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-320.78461357; eV
	2-Feb-2026	/Cu/GC_simulation/4.07/CO CO	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-336.32141373; eV
	2-Feb-2026	/Cu/GC_simulation/3.57/OH OH	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-331.88740260; eV
	2-Feb-2026	/Cu/GC_simulation/3.57/CO CO	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-336.82879894; eV
	2-Feb-2026	/Cu/GC_simulation/4.07/OH OH	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-331.45442123; eV

Results 98571-98580 of 100136 (Search time: 0.067 seconds).