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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2026	01-CsHCO3-mes	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-284.199362150; Eh
	23-Jul-2026	00-CsI-mes	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	AsymmetricIEFPCM	GENECP	-31.3047077215; Eh
	23-Jul-2026	02-CsI	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	AsymmetricIEFPCM	GENECP	-31.3047077215; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au₂-cysteine/Au₂-cysteine_S-Au-Au-OOC conf1a-Au-cysteine_S-Au-Au-OOC	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-992.906741679; Eh
	20-Jul-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-3S-solvent-V FFH-FFH-Ag-3S(111)-solv-V	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-354.24738992; eV
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cysteine/Au-cysteine_COO-Au conf1b-Au-cysteine_COO-Au	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-857.240557213; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cysteine/Au-cysteine_COO-Au conf4b-Au-cysteine_COO-Au	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-857.239665366; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cysteine/Au-cysteine_COO-Au conf2b-Au-cysteine_COO-Au	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-857.226294319; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cysteine/Au-cysteine_COO-Au conf3b-Au-cysteine_COO-Au	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-857.239666498; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cysteine/Au-cysteine_S-Au conf4c-Au-cysteine_S-Au	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-857.284573023; Eh

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