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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Pd/110 C3H8N2_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-430.04659956; eV
	25-Jun-2024	/Intermediates/Pt/110 C6H6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-491.76847719; eV
	18-Jun-2024	/Transition_states/Os/0001 2412-1211+1201	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Os/0001 2225-1112+1112	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	15-Nov-2021	AuCoO5_98small_Z	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Single point	DFT	-	-
	25-Jun-2024	/Intermediates/Ir/110 C4H10N2_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-688.64131606; eV
	25-Jun-2024	/Intermediates/Ni/110 C3H7NO2_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-445.73037646; eV
	25-Jun-2024	/Intermediates/Pt/110 C3H6O3_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-483.61330782; eV
	29-Jan-2024	Zr_Int3_2O	Garay Ruiz, Diego	ADF;	Geometry optimization	PBE	TZ2P	-
	29-Jan-2024	Zr_Int2_2O	Garay Ruiz, Diego	ADF;	Geometry optimization	PBE	TZ2P	-

Results 28891-28900 of 103542 (Search time: 0.016 seconds).