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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/Ag/110 C8H10_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-293.93569821; eV
	30-Jun-2023	/Li2O/111/vacancy/O_1 O_1	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-304.40067391; eV
	30-Jun-2023	/Li2O/111/vacancy/O_2 O_2	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-292.71884187; eV
	30-Jun-2023	/Bulk/Li Li	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-8.19347945; eV
	24-Apr-2020	SW-defect_twist-sub	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-3723.00078424; eV
	19-Mar-2026	/W W04O13-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.58794754; Eh
	25-Jun-2024	/Intermediates/Ni/110 C4H8O2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-449.74768099; eV
	25-Jun-2024	/Intermediates/Cu/111 HO_3	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_s1/Cd_sq_C5S2_s1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.56093533; eV
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_s1/Au_sq_C5S2_s1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.18189616; eV

Results 29981-29990 of 103542 (Search time: 0.018 seconds).