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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Sep-2023	mosh3_H2eta1_vacuum	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-1265.51951634; Eh
	25-Jun-2024	/Intermediates/Ir/110 C3H7NO_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-666.30409051; eV
	25-Jun-2024	/Intermediates/Cu/110 C8H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-358.77874541; eV
	25-Jun-2024	/Intermediates/Cu/110 C8H6S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-350.72600387; eV
	18-Jun-2024	/Transition_states/Pd/111 1311-1211	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_d1/Ru_sq_C5S2_d1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-639.03880408; eV
	30-Jun-2023	Pt-3xN6-pristine-4xN6-4.31_03	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1961.86414729; eV
	24-Apr-2020	pristine_BN_tri-pdvac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-3715.73832067; eV
	19-Mar-2026	/PTaW P00Ta03W03O21-2H-iso-360	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.61754632; Eh
	13-Sep-2023	tame4_H2eta1_vac	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB3LYP	6-31+G SDD GENECP*	-217.537537623; Eh

Results 28121-28130 of 103542 (Search time: 0.017 seconds).