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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/H H	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-323.97014899; eV
	2-Feb-2026	/Cu/GC_simulation/3.57/H H	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-324.42045949; eV
	2-Feb-2026	/Cu/phonopy_simulation/c1/CH2OH/phonopy 0006_002	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.17908799; eV
	2-Feb-2026	/Cu/phonopy_simulation/c1/CH2OH/phonopy 0005_002	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.17906422; eV
	2-Feb-2026	/Cu/phonopy_simulation/c1/CH2OH/phonopy 0006_001	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.17922721; eV
	2-Feb-2026	/Cu/100/SO4/TTB/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-352.86419584; eV
	2-Feb-2026	/Cu/111/SO4/TT/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-321.14571289; eV
	2-Feb-2026	/Cu/100/CO/B/freq freq	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-336.25288709; eV
	2-Feb-2026	/Cu/100/OH/H/freq freq	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-137.05110018; eV
	2-Feb-2026	/Cu/100/OH/H/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-331.50208810; eV

Results 98581-98590 of 100136 (Search time: 0.069 seconds).