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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Nov-2021	CoO-2_85	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-45.53008796; eV
	6-Dec-2021	Commensurate_top-H	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/Au/110 C4H9NO2_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-312.35197683; eV
	25-Jun-2024	/Intermediates/Pd/110 C4H8O2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-435.34453544; eV
	25-Jun-2024	/Intermediates/Ni/111 CH2O2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/cd/0001 cd-4aZ3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-126.79115702; eV
	16-Jan-2026	/FG_dataset/amidines/cd/0001 cd-4aZ2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-126.49119369; eV
	16-Jan-2026	/FG_dataset/group2/gas 4a11	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-80.16943306; eV
	16-Jan-2026	/FG_dataset/group2/gas 4a12	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-80.34122111; eV
	19-Mar-2026	/PTaW P01Ta02W07O34-2H-iso-3600	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-15.07467561; Eh

Results 27641-27650 of 103542 (Search time: 0.016 seconds).