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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Dec-2021	/redCO2 SnO2(110)-Sn(100)-AS-1-HCOO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1094.59047661; eV
	10-Dec-2021	/redCO2 SnO2(110)-Sn(100)-AS-3-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1082.80979926; eV
	25-Jun-2024	/Intermediates/Pt/100 C7H8_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-371.77219458; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/c-ZnZrOx-2vac/Zn-subsurf-c-ZnZrOx-2vac m2-c-ZnZrOx-vac2-ss-6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-421.20628262; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/c-ZnZrOx-2vac/Zn-subsurf-c-ZnZrOx-2vac m2-c-ZnZrOx-vac2-ss-5	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-421.20651298; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/c-ZnZrOx-2vac/Zn-surf-c-ZnZrOx-2vac m1b-c-ZnZrOx-vac2-s-14	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-422.52490143; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/c-ZnZrOx-2vac/Zn-surf-c-ZnZrOx-2vac m1b-c-ZnZrOx-vac2-s-15	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-420.72085150; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/c-ZnZrOx-2vac/Zn-surf-c-ZnZrOx-2vac m1b-c-ZnZrOx-vac2-s-13	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-422.52594066; eV
	9-Dec-2021	ch3cooh-br-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-242.448414666; Eh
	10-Dec-2021	/redCO2 SnO(001)-Sn(100)-AS-3-HCOO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1152.57715615; eV

Results 60611-60620 of 104157 (Search time: 0.035 seconds).