Lucas José Karas - Publications

Affiliations: 
University of Campinas (UNICAMP) 
Area:
Theoretical Calculation; NMR spcetroscopy, Infrared

13 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Karas LJ, Jalife S, Viesser RV, Soares JV, Haley MM, Wu JI. Tetra-tert-butyl-s-indacene is a Bond Localized C2h Structure and a Challenge for Computational Chemistry. Angewandte Chemie (International Ed. in English). e202307379. PMID 37467313 DOI: 10.1002/anie.202307379  0.687
2022 McNeill JN, Karas LJ, Bard JP, Fabrizio K, Zakharov LN, MacMillan SN, Brozek CK, Wu JI, Johnson DW, Haley MM. Controlling Tautomerization in Pyridine-Fused Phosphorus-Nitrogen Heterocycles. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35213751 DOI: 10.1002/chem.202200472  0.465
2021 Wen Z, Karas LJ, Wu JI. Hydrogen bonding interactions can decrease clar sextet character in acridone pigments. Organic & Biomolecular Chemistry. 19: 9619-9623. PMID 34708853 DOI: 10.1039/d1ob01720a  0.436
2021 McHale CM, Karas LJ, Wang X, Wu JI, Miljanić OŠ. Cyclobenzoin Esters as Hosts for Thin Guests. Organic Letters. PMID 33635676 DOI: 10.1021/acs.orglett.1c00383  0.389
2020 Karas LJ, Wu C, Das R, Wu JI. Hydrogen bond design principles Wiley Interdisciplinary Reviews: Computational Molecular Science. 10. PMID 33936251 DOI: 10.1002/Wcms.1477  0.539
2020 Karas LJ, Campbell AT, Alabugin IV, Wu JI. Antiaromaticity Gain Activates Tropone and Nonbenzenoid Aromatics as Normal-Electron-Demand Diels-Alder Dienes. Organic Letters. PMID 32856925 DOI: 10.1021/Acs.Orglett.0C02343  0.434
2020 Dressler J, Barker JE, Karas LJ, Hashimoto H, Kishi R, Zakharov LN, MacMillan SN, Gómez-García CJ, Nakano M, Wu JI, Haley MM. Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation. The Journal of Organic Chemistry. PMID 32677439 DOI: 10.1021/Acs.Joc.0C01387  0.394
2020 Paudel HR, Karas LJ, Wu JI. On the reciprocal relationship between σ-hole bonding and (anti)aromaticity gain in ketocyclopolyenes. Organic & Biomolecular Chemistry. PMID 32601633 DOI: 10.1039/D0Ob01076F  0.486
2020 Wen Z, Karas LJ, Wu CH, Wu JI. How does excited-state antiaromaticity affect the acidity strengths of photoacids? Chemical Communications (Cambridge, England). PMID 32462169 DOI: 10.1039/D0Cc02952A  0.321
2020 Karas LJ, Wu C, Ottosson H, Wu JI. Electron-driven proton transfer relieves excited-state antiaromaticity in photoexcited DNA base pairs Chemical Science. 11: 10071-10077. DOI: 10.1039/D0Sc02294B  0.325
2019 Wu CH, Karas LJ, Ottosson H, Wu JI. Excited-state proton transfer relieves antiaromaticity in molecules. Proceedings of the National Academy of Sciences of the United States of America. PMID 31554699 DOI: 10.1073/Pnas.1908516116  0.506
2019 Rodrigues Batista P, Karas LJ, Viesser RV, de Oliveira CC, Brown Gonçalves M, Tormena CF, Rittner R, Ducati LC, de Oliveira PR. Dealing With Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches. The Journal of Physical Chemistry. A. PMID 31517493 DOI: 10.1021/Acs.Jpca.9B05619  0.638
2017 Karas LJ, Batista PR, Viesser RV, Tormena CF, Rittner R, de Oliveira PR. Trends of intramolecular hydrogen bonding in substituted alcohols: a deeper investigation. Physical Chemistry Chemical Physics : Pccp. PMID 28628184 DOI: 10.1039/C7Cp03572A  0.495
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