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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/amidines/cd/0001 cd-4aZn-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-126.21477987; eV
	16-Jan-2026	/FG_dataset/amides/cd/0001 cd-49X3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-121.79116661; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au24Cuk_SH-00_COOH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	14-Jun-2024	/Au25_clusters/Au25_react Au24Cuk_SH-00_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_070 disp_070	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60584382; eV
	29-Jan-2024	V_TS1_A	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-
	29-Jan-2024	V_Int2_OH	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	1-May-2023	/Energy-profiles/a-TiO₂-1vac a-MF-H₂O_OH	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1259.42469112; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P0_C5P2/Zn_tr_C4P0_C5P2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-642.13924453; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P0_C5P2/Zn_tr_C4P0_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-641.46881080; eV

Results 47321-47330 of 104079 (Search time: 0.028 seconds).