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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/phonopy_simulation/c2/CHCO/phonopy/023 023	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	2-Feb-2026	/Cu/phonopy_simulation/c2/CHCO/phonopy/020 020	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	2-Feb-2026	/Cu/phonopy_simulation/c2/CHCO/phonopy/018 018	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	2-Feb-2026	/Cu/phonopy_simulation/c2/CHCO/phonopy/019 019	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	2-Feb-2026	/Cu/phonopy_simulation/c2/CHCO/phonopy/021 021	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	2-Feb-2026	/Cu/111/OH/B/freq freq	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-299.95177010; eV
	2-Feb-2026	/Cu/111/OH/F/freq freq	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-300.43128487; eV
	2-Feb-2026	/Cu/111/CO/H/freq freq	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-305.48259909; eV
	2-Feb-2026	/Cu/111/OH/F/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-300.37114412; eV
	2-Feb-2026	/Cu/111/CO/H/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-305.31385841; eV

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