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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Nov-2021	/Adatoms/Bridge Ir-1-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1101.51552235; eV
	29-Nov-2021	/Adatoms/Bridge Ru-1-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1101.93340062; eV
	29-Nov-2021	/Adatoms/Bridge Rh-1-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.14257629; eV
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-5080.5436272; Eh
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-8028.1841296; Eh
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-3259.7266785; Eh
	30-May-2021	/benchmarking/B3LYP_D3_6_311+G2d2p COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P)	-312.1550359; Eh
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-312.1398999; Eh
	29-Nov-2021	/Adatoms/Bridge Co-1-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.75954344; eV
	29-Nov-2021	/Adatoms/Bridge Pd-1-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.23254282; eV

Results 20901-20910 of 103542 (Search time: 0.013 seconds).