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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Cd/0001 2321-2221	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Ir/111 2215-2112	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/GC_simulation/5.07/SO4 SO4	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-353.32963571; eV
	2-Feb-2026	/Cu/GC_simulation/4.07/SO4 SO4	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-353.28665229; eV
	2-Feb-2026	/Cu/GC_simulation/4.07/clean clean	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-320.33836873; eV
	2-Feb-2026	/Cu/GC_simulation/5.57/OH OH	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-333.30456465; eV
	2-Feb-2026	/Cu/GC_simulation/5.07/clean clean	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-320.93313330; eV
	2-Feb-2026	/Cu/GC_simulation/5.07/OH OH	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-332.28825862; eV
	2-Feb-2026	/Cu/GC_simulation/5.07/CO CO	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-336.76287258; eV
	2-Feb-2026	/Cu/GC_simulation/5.57/H H	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-325.49367708; eV

Results 99831-99840 of 100134 (Search time: 0.052 seconds).