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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3nh3-o-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-171.753758225; Eh
	31-Jan-2022	/Cluster_(O) HS_Co-vac_Cluster_(O)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3576.75552129; Eh
	31-Jan-2022	/Cluster_(O) LS_Co-vac_Cluster_(O)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3576.76254615; Eh
	25-Jun-2024	/Intermediates/Au/110 C6H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-309.69106439; eV
	2-Oct-2023	/CoCrO4 CoCrO4_defect	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Geometry optimization	DFT	-	-138.74095479; eV
	2-Oct-2023	/NiWO NiWO_del-hse	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-1055.08650515; eV
	2-Oct-2023	/Non-Periodic_Systems H2O	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-13.50109326; eV
	2-Oct-2023	/NiWO NiWO_hse	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-1048.28118618; eV
	2-Oct-2023	/NiWO NiWO_pbe	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-727.59270644; eV
	31-Jan-2022	/MECP_Cluster_(R)/MECP_Co-OH IS_Co-OH_MECP_Cluster_(R)_	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.68911507; Eh

Results 30131-30140 of 103542 (Search time: 0.018 seconds).