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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cystine/Au-cystine_COO-Au-S conf1c-Au-cysteine_COO-Au-S	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-1578.58506741; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cystine/Au-cystine_COO-Au-S conf2c-Au-cysteine_COO-Au-S	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-1578.59801571; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cystine/Au-cystine_COO-Au-S conf4c-Au-cysteine_COO-Au-S	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-1578.59372260; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cystine/Au-cystine_COO-Au-S conf6c-Au-cysteine_COO-Au-S	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-1578.59172439; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cystine/Au-cystine_COO-Au conf1b-Au-cysteine_COO-Au	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-1578.59159787; Eh
	23-Jul-2026	/Auₓ-chiral_inducers_complexes/Au-cystine/Au-cystine_COO-Au conf2b-Au-cysteine_COO-Au	Morales-Vidal, Jordi	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	GEN	-1578.59295078; Eh
	23-Jul-2026	29-TS_c3N-c4N-ortho	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1649.40384148; Eh
	23-Jul-2026	27-c3N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1649.42607295; Eh
	23-Jul-2026	24-c2N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1649.43016446; Eh
	23-Jul-2026	31-TS_c3N-c4N-meta-mesitylene	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1999.32448013; Eh

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