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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	2-Feb-2026	/Cu/GC_simulation/5.07/H H	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-324.54385735; eV
	2-Feb-2026	/Cu/100/adatom/adatom+CO+OH adatom+CO+OH	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/100/adatom/adatom+CO adatom+CO	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/100/adatom/adatom+2CO adatom+2CO	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 99581-99590 of 100136 (Search time: 0.042 seconds).