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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Apr-2024	/CsSnBr3/orthorhombic/PBEsol HSE06-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-83.09369467; eV
	22-Apr-2024	/CsSnBr3/orthorhombic/PBE Optimization	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-68.05506098; eV
	15-Jul-2024	/Single-Points THF•ᐧᐧᐧHCl	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-692.7620511; Eh
	15-Jul-2024	/Single-Points Br•	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-2574.1448539; Eh
	6-Sep-2024	/PBE/AsMo As01Mo03O13-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.17201028; Eh
	25-Jun-2024	/Intermediates/Ni/100 C4H9NO_12	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-330.27537271; eV
	25-Jun-2024	/Intermediates/Cd/0001 C2H4O2_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Cd/0001 C2H3O2_4	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Cd/0001 C2H3O2_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	22-Apr-2024	/CsSnBr3/orthorhombic/PBE HSE06-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-81.01138055; eV

Results 56841-56850 of 104126 (Search time: 0.032 seconds).