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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/c1/CH2OH/phonopy/030 030	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.17075660; eV
	2-Feb-2026	/Cu/phonopy_simulation/c1/CH2OH/phonopy/027 027	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.16852395; eV
	2-Feb-2026	/Cu/phonopy_simulation/c1/CH2OH/phonopy/028 028	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.16867670; eV
	2-Feb-2026	/Cu/phonopy_simulation/c1/CH2OH/phonopy/029 029	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.16981325; eV
	2-Feb-2026	/Cu/100/SO4/TBB TBB	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/100/SO4/BB BB	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/100/CO/B B	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/100/OH/B B	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/100/OH/H H	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 017	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-160.92494741; eV

Results 98231-98240 of 100136 (Search time: 0.057 seconds).