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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/4_1/H_ fcc	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-97.18782769; eV
	27-Aug-2025	/opt/Se_cys2 sp_Se_cys2	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	DFT	6-311+g(d)	-3924.06055865; Eh
	27-Aug-2025	/opt/Se_cys2 Se_cys2	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	6-311+g(d)	-3923.55825216; Eh
	14-Nov-2025	Crystal_Cs_Tc(III)_Tc(IV)_SP14	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-921.422633; eV
	16-Jan-2026	/FG_dataset/group3N/os/0001 os-39N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-589.15015135; eV
	16-Jan-2026	/FG_dataset/group3N/os/0001 os-39N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-589.20212001; eV
	16-Jan-2026	/FG_dataset/aromatics/ag/111 ag-44S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-180.03305197; eV
	14-Nov-2025	Tc(III)_SP0	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-913.010782; eV
	14-Nov-2025	Tc(III)_SP2	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-912.582956; eV
	27-Aug-2025	/sp/cys_sh_cl cys-sh-cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	DFT	6-311+g(d)	-3662.82729954; Eh

Results 82101-82110 of 104124 (Search time: 0.048 seconds).