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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/111/SO4/TTT/freq freq	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-
	2-Feb-2026	/Cu/111/SO4/BTT BTT	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/111/SO4/TTT TTT	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Feb-2026	/Cu/111/SO4/TT TT	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 025	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-160.92493755; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 024	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-160.92498249; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 026	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-160.92435454; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 027	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-160.92317828; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 028	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-160.92305484; eV
	5-Feb-2026	/Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 029	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-160.92544889; eV

Results 98951-98960 of 100136 (Search time: 0.047 seconds).