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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Nov-2022	07_Ir-NH3_vac	Pikulova, Petra	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	GEN	-1683.50978541; Eh
	29-Nov-2022	06_Rh-Cl_vac	Pikulova, Petra	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	GEN	-2093.47085881; Eh
	2-Jun-2022	Au31_CeO2_state2	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-1261.52613146; eV
	2-Jun-2022	CO_Au31_CeO2_state6	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-only	Geometry optimization	DFT	-	-1277.25976900; eV
	2-Jun-2022	CO_Au31_CeO2_state5	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-only	Geometry optimization	DFT	-	-1277.22937660; eV
	2-Jun-2022	CO_Au31_CeO2_state3	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-only	Geometry optimization	DFT	-	-1277.13165208; eV
	2-Jun-2022	CO_Au31_CeO2_state1	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-only	Geometry optimization	DFT	-	-1277.37488276; eV
	2-Jun-2022	CO_Au31_CeO2_state4	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-only	Geometry optimization	DFT	-	-1277.49524503; eV
	2-Jun-2022	CO_Au31_CeO2_state2	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-only	Geometry optimization	DFT	-	-1276.95572116; eV
	2-Jun-2022	Au31_CeOx_state5d	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-only	Geometry optimization	DFT	-	-1253.69476725; eV

Results 1481-1490 of 1937 (Search time: 0.004 seconds).