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Steven A. Lopez, Ph.D. - Publications

Affiliations: 
2017- Chemistry and Chemical Biology Northeastern University, Boston, MA, United States 
Area:
computational materials discovery, organic photochemistry, machine learning
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26 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
2021 Li J, Reiser P, Boswell BR, Eberhard A, Burns NZ, Friederich P, Lopez SA. Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations. Chemical Science. 12: 5302-5314. PMID 34163763 DOI: 10.1039/d0sc05610c  0.609
2020 Li J, Lopez SA. Multiconfigurational Calculations and Non-Adiabatic Molecular Dynamics Explain Tricyclooctadiene Photochemical Chemoselectivity. The Journal of Physical Chemistry. A. PMID 32866386 DOI: 10.1021/Acs.Jpca.0C05280  0.341
2020 Pengshung M, Li J, Mukadum F, Lopez SA, Sletten EM. Photophysical Tuning of Shortwave Infrared Flavylium Heptamethine Dyes via Substituent Placement. Organic Letters. 22: 6150-6154. PMID 32790432 DOI: 10.1021/Acs.Orglett.0C02213  0.305
2020 Cox JM, Lopez SA. Multiconfigurational dynamics explain photochemical reactivity and torquoselectivity towards fluorinated polyacetylenes Journal of Materials Chemistry C. 8: 10880-10888. DOI: 10.1039/D0Tc01298J  0.423
2020 Cox JM, Mileson B, Sadagopan A, Lopez SA. Molecular Recognition and Band Alignment in 3D Covalent Organic Frameworks for Cocrystalline Organic Photovoltaics The Journal of Physical Chemistry C. 124: 9126-9133. DOI: 10.1021/Acs.Jpcc.0C00087  0.321
2019 Abreha BG, Agarwal S, Foster I, Blaiszik B, Lopez SA. Virtual Excited State Reference for the Discovery of Electronic Materials Database: An Open-Access Resource for Ground and Excited State Properties of Organic Molecules. The Journal of Physical Chemistry Letters. 6835-6841. PMID 31642678 DOI: 10.1021/Acs.Jpclett.9B02577  0.379
2019 Williams TL, Lopez SA, Deravi LF. A Sustainable Route To Synthesize the Xanthommatin Biochrome via an Electro-catalyzed Oxidation of Tryptophan Metabolites Acs Sustainable Chemistry & Engineering. 7: 8979-8985. DOI: 10.1021/Acssuschemeng.9B01144  0.329
2018 Ly JT, Lopez SA, Lin JB, Kim JJ, Lee H, Burnett EK, Zhang L, Aspuru-Guzik A, Houk KN, Briseno AL. Oxidation of rubrene, and implications for device stability Journal of Materials Chemistry C. 6: 3757-3761. DOI: 10.1039/C7Tc05775J  0.44
2017 Lin JB, Jin Y, Lopez SA, Druckerman N, Wheeler SE, Houk KN. Torsional Barriers to Rotation and Planarization in Heterocyclic Oligomers of Value in Organic Electronics. Journal of Chemical Theory and Computation. PMID 29016124 DOI: 10.1021/Acs.Jctc.7B00709  0.639
2017 Fell JS, Lopez SA, Higginson CJ, Finn MG, Houk KN. Theoretical Analysis of the Retro-Diels-Alder Reactivity of Oxanorbornadiene Thiol and Amine Adducts. Organic Letters. PMID 28817292 DOI: 10.1021/Acs.Orglett.7B02064  0.455
2017 Cherniawski BP, Lopez SA, Burnett EK, Yavuz I, Zhang L, Parkin SR, Houk KN, Briseno AL. The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes Journal of Materials Chemistry C. 5: 582-588. DOI: 10.1039/C6Tc04612F  0.399
2017 Lopez SA, Sanchez-Lengeling B, de Goes Soares J, Aspuru-Guzik A. Design Principles and Top Non-Fullerene Acceptor Candidates for Organic Photovoltaics Joule. 1: 857-870. DOI: 10.1016/J.Joule.2017.10.006  0.579
2016 Yavuz I, Lopez SA. Understanding dispersive charge-transport in crystalline organic-semiconductors. Physical Chemistry Chemical Physics : Pccp. PMID 27901136 DOI: 10.1039/C6Cp06431K  0.322
2016 Lopez SA, Pyzer-Knapp EO, Simm GN, Lutzow T, Li K, Seress LR, Hachmann J, Aspuru-Guzik A. The Harvard organic photovoltaic dataset. Scientific Data. 3: 160086. PMID 27676312 DOI: 10.1038/Sdata.2016.86  0.632
2016 Yavuz I, Lopez SA, Lin JB, Houk KN. Quantitative prediction of morphology and electron transport in crystal and disordered organic semiconductors Journal of Materials Chemistry C. 4: 11238-11243. DOI: 10.1039/C6Tc03823A  0.433
2016 Blaskovits JT, Bura T, Beaupré S, Lopez SA, Roy C, de Goes Soares J, Oh A, Quinn J, Li Y, Aspuru-Guzik A, Leclerc M. A Study of the Degree of Fluorination in Regioregular Poly(3-hexylthiophene) Macromolecules. 50: 162-174. DOI: 10.1021/Acs.Macromol.6B02365  0.466
2015 Chung TS, Lopez SA, Houk KN, Garcia-Garibay MA. Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines. Organic Letters. 17: 4568-71. PMID 26338467 DOI: 10.1021/Acs.Orglett.5B02290  0.428
2015 Honda K, Lopez SA, Houk KN, Mikami K. Mono-, Di-, and Trifluoroalkyl Substituent Effects on the Torquoselectivities of Cyclobutene and Oxetene Electrocyclic Ring Openings. The Journal of Organic Chemistry. PMID 26301819 DOI: 10.1021/Acs.Joc.5B01361  0.424
2015 Xie S, Lopez SA, Ramström O, Yan M, Houk KN. 1,3-Dipolar cycloaddition reactivities of perfluorinated aryl azides with enamines and strained dipolarophiles. Journal of the American Chemical Society. 137: 2958-66. PMID 25553488 DOI: 10.1021/Ja511457G  0.441
2014 Lopez SA, Pourati M, Gais HJ, Houk KN. How torsional effects cause attack at sterically crowded concave faces of bicyclic alkenes. The Journal of Organic Chemistry. 79: 8304-12. PMID 25068678 DOI: 10.1021/Jo501557Z  0.445
2014 Lopez SA, Houk KN. Substituent effects on rates and torquoselectivities of electrocyclic ring-openings of N-substituted 2-azetines. The Journal of Organic Chemistry. 79: 6189-95. PMID 24885772 DOI: 10.1021/Jo500919S  0.47
2013 Kamber DN, Nazarova LA, Liang Y, Lopez SA, Patterson DM, Shih HW, Houk KN, Prescher JA. Isomeric cyclopropenes exhibit unique bioorthogonal reactivities. Journal of the American Chemical Society. 135: 13680-3. PMID 24000889 DOI: 10.1021/Ja407737D  0.48
2013 Lopez SA, Munk ME, Houk KN. Mechanisms and transition states of 1,3-dipolar cycloadditions of phenyl azide with enamines: A computational analysis Journal of Organic Chemistry. 78: 1576-1582. PMID 23347077 DOI: 10.1021/Jo302695N  0.422
2013 Lopez SA, Houk KN. Alkene distortion energies and torsional effects control reactivities, and stereoselectivities of azide cycloadditions to norbornene and substituted norbornenes Journal of Organic Chemistry. 78: 1778-1783. PMID 22764840 DOI: 10.1021/Jo301267B  0.466
2013 Lopez SA, Munk ME, Houk KN. Correction to Mechanisms and Transition States of 1,3-Dipolar Cycloadditions of Phenyl Azide with Enamines: A Computational Analysis The Journal of Organic Chemistry. 78: 5115-5115. DOI: 10.1021/Jo400863U  0.412
2012 Liang Y, Mackey JL, Lopez SA, Liu F, Houk KN. Control and design of mutual orthogonality in bioorthogonal cycloadditions. Journal of the American Chemical Society. 134: 17904-7. PMID 23061442 DOI: 10.1021/Ja309241E  0.471
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