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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Dec-2021	ch3nh3-nh2-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-152.372739520; Eh
	1-Mar-2022	Cu-4O-600K_10ps_1fs-12	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-378.80429846; eV
	1-Mar-2022	Cu-4O-2Ce3-29_31	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.00577108; eV
	1-Mar-2022	Cu-4O-2Ce3-29_30	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-854.95172032; eV
	1-Mar-2022	Ir-2O-1Ce3-29	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.46319573; eV
	3-Dec-2021	*IndoleA_ReactionNetwork	Garay Ruiz, Diego	-	-	-	-	-	-	-	-
	25-Jun-2024	/Intermediates/Pt/100 C6H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-367.40505806; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/c-ZnZrOx-2vac/Zn-subsurf-c-ZnZrOx-2vac m2-c-ZnZrOx-vac2-s-11	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-420.83474195; eV
	25-Jun-2024	/Intermediates/Zn/10m10 O_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	9-Dec-2021	ch3cooch3-c6h5-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-500.209229006; Eh

Results 60641-60650 of 104157 (Search time: 0.037 seconds).