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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/3_1/COOH atop	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-120.71221375; eV
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/3_1/H_ fcc	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-97.78619020; eV
	27-Aug-2025	/opt/Se_Cl_cys const_Se_Cl_cys	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	6-311+g(d)	-3660.94427521; Eh
	27-Aug-2025	/opt/cys sp_cys	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	DFT	6-311+g(d)	-722.07888259; Eh
	16-Jan-2026	/FG_dataset/group3N/os/0001 os-25N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-563.92699981; eV
	16-Jan-2026	/FG_dataset/aromatics/ru/0001 ru-8a02-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-534.73619991; eV
	14-Nov-2025	Tc(VI)_symm_C2V	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-45.643779; eV
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/4_1/CO2 atop_K	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-117.13795190; eV
	14-Nov-2025	Tc(VII)_symm_Td	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-43.260093; eV
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/4_1/COOH atop	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-119.96486712; eV

Results 82091-82100 of 104124 (Search time: 0.049 seconds).