SELECTED PUBLICATIONS

  1. A. Nautiyal, S. Srinivas, B. Nguyen, B. Burton, A. Ali, K. E. Lawson, X. Huang, Z. Wang, X. Zhang, A. J. Adamczyk, P. Dong, “Flexible skin patch for sensing opioid concentration in bodily fluids”, Analytical Chemistry, 2020. (Submitted)

  2. Y. Choi, T. J. Preston, A. J. Adamczyk, “Data-driven investigation of monosilane and ammonia co-pyrolysis to silicon-nitride-based ceramic nanomaterials”, ChemPhysChem, 2020. DOI: 10.1002/cphc.202000561

  3. T. Azad, J. D. Schuler, M. Auad, T. Elder, A. J. Adamczyk, “Model lignin oligomer pyrolysis: Coupled conformational and thermodynamic analysis of β-O-4′ bond cleavage”, Energy & Fuels, 2020. DOI: 10.1021/acs.energyfuels.0c01573

  4. S. Sarwar, A. Ali, Z. Liu, J. Li, S. Uprety, H. Lee, R. Wang, M. Park, M. J. Bozack, A. J. Adamczyk, X. Zhang, “Towards Thermoneutral Hydrogen Evolution Reaction Using Noble Metal Free Dichalcogenide/Graphene Nanocomposites”, Journal of Colloids and Interfacial Science, 2020. DOI: 10.1016/j.jcis.2020.07.122

  5. M.J. Minkler, J. Kim, K.E. Lawson, A. Ali, R. Zhao, A.J. Adamczyk, B.S. Beckingham, “Solution processible statistical poly(3-methoxythiophene)-co-poly(3-hexylthiophene) copolymer”, Materials Letters2019, 256, 126563. DOI: 10.1016/j.matlet.2019.126563

  6. G. Lozano-Blanco, B.J. Tatarchuk, A.J. Adamczyk, “Building a Microkinetic Model from First Principles for Higher Amine Synthesis on Pd Catalyst”, Ind. Eng. Chem. Res.2019, 58, 19022-19032. DOI: 10.1021/acs.iecr.9b03577 (INVITED)

  7. G. Lozano-Blanco, A.J. Adamczyk, “Cobalt-catalyzed nitrile hydrogenation: Insights into the reaction mechanism and product selectivity from DFT analysis”, Surface Science, 2019, 688, 31-44. DOI: 10.1016/j.susc.2019.06.003

  8. A. J. Adamczyk, “First-principles analysis of acetonitrile reaction pathways to primary, secondary, and tertiary amines on Pd(111)”, Surface Science, 2019, 682, 84-98. DOI: 10.1016/j.susc.2018.09.006

  9. Y. Choi, A. J. Adamczyk, “Tuning Hydrogenated Silicon, Germanium, and SiGe Nanocluster Properties Using Theoretical Calculations and a Machine Learning Approach”, The Journal of Physical Chemistry A , 2018, 122, 9851-9868. DOI: 10.1021/acs.jpca.8b09797

  10. A. J. Adamczyk, A.C. Cooper, M.-S. Kim, S.V. Ivanov, “Leveraging Atomistic Modeling during Precursor Design for Cobalt Film Deposition”, Computer Aided Chemical Engineering, 2018, 157-162. DOI: 10.1016/B978-0-444-64241-7.50021-5

  11. J. Al-Rashid , A. J. Adamczyk, T. Panitzsch , G. Lal, A. Arnold, J. Su, “Aldehyde Emissions from Flexible Molded Foam”, American Chemistry Council Center for the Polyurethanes Industry (CPI) Tech. Conf. Proc., 2015, 1-18. DOI: 10.1016/ACCCPI2015

  12. ​T. Eom, T. Gwon, S. Yoo, B. J. Choi, M.-S. Kim, S. Ivanov, A. J. Adamczyk, I. Buchanan, M. Xiao, C. S. Hwang, “Chemical Interaction and Ligand Exchange between [(CH3)3Si]3Sb Precursor and Atomic Layer Deposited Sb2Te3 Films”, J. Mater. Chem. C, 2015, 3, 1365-1370. DOI: 10.1039/C4TC02688H

  13. A. J. Adamczyk, J. Cao, S. C. L. Kamerlin, A. Warshel, “Catalysis by Dihydrofolate Reductase and Other Enzymes arises from Electrostatic Preorganization, not Conformational Motions”, Proc. Natl. Acad. Sci. U. S. A., 2011, 108 (34), 14115-14120. DOI: 10.1073/pnas.1111252108

  14. A. J. Adamczyk, L. J. Broadbelt, “Thermochemical Property Estimation for Multifunctional Polycyclic Silicon Hydrides”, J. Phys. Chem. A, 2011, 115 (32), 8969–8982. DOI: 10.1039/C4TC02688H

  15. A. J. Adamczyk, A. Warshel, “Converting Structural Information into an Allosteric‑Energy‑Based Picture for EF-Tu Activation by the Ribosome”, Proc. Natl. Acad. Sci. U. S. A., 2011, 108 (24), 9827-9832. DOI: 10.1039/C4TC02688H

  16. A. J. Adamczyk, L. J. Broadbelt, “The Role of Multifunctional Kinetics during Early-Stage Silicon Hydride Pyrolysis: Reactivity of Si2H2 Isomers with SiH4 and Si2H6”, J. Phys. Chem. A, 2011, 115 (11), 2409-2422. DOI: 10.1039/C4TC02688H

  17. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Hydrogenated Amorphous Silicon Nanostructures: Novel Structure-Reactivity Relationships for Cyclization and Ring Opening in the Gas Phase”, Theor. Chem. Acc., 2011, 128 (1), 91-113. DOI: 10.1039/C4TC02688H

  18. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Kinetic Correlations for H2 Addition and Elimination Reaction Mechanisms during Silicon Hydride Pyrolysis”, Phys. Chem. Chem. Phys., 2010, 12 (39), 12676-96. DOI: 10.1039/C4TC02688H

  19. B. Hidding, M. Fikri, M. Bozkurt, C. Schulz, T. Soltner, A. Kornath, M. Pfitzner, M. Lang, A. J. Adamczyk, L. Broadbelt, H. Ellerbrock, D. Simone, C. Bruno, “Spiking of Hydrocarbon Fuels with Silanes-based Combustion Enhancers”, The ISTS Special Issue of Transactions of JSASS Aerospace Technology Japan, 2010, 8, 39-45. DOI: 10.1039/C4TC02688H

  20. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Kinetics of Substituted Silylene Addition and Elimination in Silicon Nanocluster Growth Captured by Group Additivity”, ChemPhysChem, 2010, 11 (9), 1978–94. DOI: 10.1039/C4TC02688H

  21. A. J. Adamczyk, M.-F. Reyniers, G. B. Marin, L. J. Broadbelt, “Exploring 1,2-Hydrogen Shift in Silicon Nanoparticles: Reaction Kinetics from Quantum Chemical Calculations and Derivation of Transition State Group Additivity (TSGA) Database”, J. Phys. Chem. A, 2009, 113 (41), 10933-46. DOI: 10.1039/C4TC02688H