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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Nov-2025	Na2O76Si2Tc2W20_quintet	Hosseini, Farzaneh	AMS; 2023.101; r111868	Geometry optimization	PBE	-	-888.334918; eV
	14-Nov-2025	Tc(VII)_deformed	Hosseini, Farzaneh	AMS; 2021.101; r94406	Single point	PBE	QZ	-43.244942; eV
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-4bN5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-337.33248794; eV
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-4bN6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-337.41815081; eV
	16-Jan-2026	/FG_dataset/aromatics/ru/0001 ru-67N1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-513.58608531; eV
	16-Jan-2026	/FG_dataset/aromatics/ru/0001 ru-7801-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-518.08356569; eV
	27-Aug-2025	/opt/cys_sh_cl cys-sh-cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	6-311+g(d)	-3662.53070906; Eh
	27-Aug-2025	/opt/Se_Cl_cys Se_Cl_cys	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	6-311+g(d)	-3660.94427521; Eh
	14-Nov-2025	Crystal_Cs_Tc(III)_Tc(IV)_SP2	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-921.673460; eV
	14-Nov-2025	Crystal_Cs_Tc(III)_Tc(IV)_SP4	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-921.354762; eV

Results 83971-83980 of 104124 (Search time: 0.055 seconds).