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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Oct-2023	/Opt IV_c7	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.42073551; Eh
	30-Oct-2023	/Opt IV_c18	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41587878; Eh
	22-Aug-2018	/slabs_opt slab_Co_OH2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-428.27722956; eV
	22-Aug-2018	/slabs_opt slab_Cu111	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-223.83892255; eV
	22-Aug-2018	/xps/Cu111 0	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-223.96985680; eV
	25-Jun-2024	/Intermediates/Ir/110 C4H10N2_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-689.60864672; eV
	25-Jun-2024	/Intermediates/Au/110 C6H6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-297.11975173; eV
	29-Jan-2024	Hf_TS3	Garay Ruiz, Diego	ADF;	Transition state	PBE	TZ2P	-
	29-Jan-2024	Hf_Int0	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	30-Oct-2023	/Opt IV_c9	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.42078332; Eh

Results 30261-30270 of 103542 (Search time: 0.018 seconds).