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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Apr-2024	/MASnI3/pseudo-cubic/PBE Optimization	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-51.85990995; eV
	26-Aug-2024	geom112_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8477737; Eh
	26-Aug-2024	geom62_nox_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1011.406541; Eh
	26-Aug-2024	geom17_w7_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-535.041591978; Eh
	26-Aug-2024	geom30_ae_A	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6741.4186659; Eh
	6-Sep-2024	/PBE/PMo P01Mo06O22-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.03116145; Eh
	25-Jun-2024	/Intermediates/Ni/100 C2H6O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-293.33530591; eV
	25-Jun-2024	/Intermediates/Ni/100 C2H6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-286.47627613; eV
	25-Jun-2024	/Intermediates/Ni/100 C3H4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-288.38983073; eV
	25-Jun-2024	/Intermediates/Au/100 CH	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-

Results 73471-73480 of 104128 (Search time: 0.046 seconds).