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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jul-2026/Slabs Ag-1S-solvent-VMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--191.78012132; eV
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf1a-2-Au-cysteine_S-Au-Au-OOCMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.23439115; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf1c-2-Au-cysteine_S-Au-Au-OOCMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.23439159; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2b-2-Au-cysteine_S-Au-Au-OOCMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.22581068; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2a-2-Au-cysteine_S-Au-Au-OOCMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.21557139; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2b-Au-cysteine_S-Au-Au-OOCMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.21647573; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-S conf4a-2-Au-cysteine_S-Au-Au-SMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.19468363; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-S conf4a-Au-cysteine_S-Au-Au-SMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.19470008; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_S-Au-Au-S conf4c-Au-cysteine_S-Au-Au-SMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.19467742; Eh
Login required23-Jul-2026/Auₓ-chiral_inducers_complexes/Au₂-cystine/Au₂-cystine_Au-S-Au conf4b-2-Au-cysteine_Au-S-AuMorales-Vidal, JordiGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimumb3lypGEN-1714.18907247; Eh
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