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Andrew J. Adamczyk - Publications

Affiliations: 
Chemical Engineering Auburn University, Auburn, AL, United States 
Area:
Multiscale Modeling, Computational Chemistry, Reaction Path Analysis, Materials, Catalysis
Website:
www.adamczyklab.com
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23 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
2022 Choi Y, Adamczyk AJ. Competitive Hydrogen Migration in Silicon Nitride Nanoclusters: Reaction Kinetics Generalized from Supervised Machine Learning. The Journal of Physical Chemistry. A. 126: 2677-2689. PMID 35452242 DOI: 10.1021/acs.jpca.2c01050  0.414
2021 Azad T, Torres HF, Auad ML, Elder T, Adamczyk AJ. Isolating key reaction energetics and thermodynamic properties during hardwood model lignin pyrolysis. Physical Chemistry Chemical Physics : Pccp. PMID 34541592 DOI: 10.1039/d1cp02917g  0.305
2020 Choi Y, Preston TJ, Adamczyk A. Data-driven investigation of monosilane and ammonia co-pyrolysis to silicon-nitride-based ceramic nanomaterials. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32853448 DOI: 10.1002/Cphc.202000561  0.381
2020 Sarwar S, Ali A, Liu Z, Li J, Uprety S, Lee H, Wang R, Park M, Bozack MJ, Adamczyk AJ, Zhang X. Towards thermoneutral hydrogen evolution reaction using noble metal free molybdenum ditelluride/graphene nanocomposites. Journal of Colloid and Interface Science. 581: 847-859. PMID 32818685 DOI: 10.1016/J.Jcis.2020.07.122  0.302
2020 Azad T, Schuler JD, Auad ML, Elder T, Adamczyk AJ. Model lignin oligomer pyrolysis: Coupled conformational and thermodynamic analysis of β-O-4′ bond cleavage Energy & Fuels. 2020: 9709-9724. DOI: 10.1021/Acs.Energyfuels.0C01573  0.396
2019 Lozano-Blanco G, Tatarchuk BJ, Adamczyk AJ. Building a Microkinetic Model from First Principles for Higher Amine Synthesis on Pd Catalyst Industrial & Engineering Chemistry Research. 58: 19022-19032. DOI: 10.1021/Acs.Iecr.9B03577  0.356
2019 Lozano-Blanco G, Adamczyk AJ. Cobalt-catalyzed nitrile hydrogenation: Insights into the reaction mechanism and product selectivity from DFT analysis Surface Science. 688: 31-44. DOI: 10.1016/J.Susc.2019.06.003  0.408
2019 Adamczyk AJ. First-principles analysis of acetonitrile reaction pathways to primary, secondary, and tertiary amines on Pd(111) Surface Science. 682: 84-98. DOI: 10.1016/J.Susc.2018.09.006  0.393
2018 Choi Y, Adamczyk AJ. Tuning Hydrogenated Si, Ge, and SiGe Nanocluster Properties Using Theoretical Calculations and a Machine Learning Approach. The Journal of Physical Chemistry. A. PMID 30484641 DOI: 10.1021/Acs.Jpca.8B09797  0.406
2011 Adamczyk AJ, Cao J, Kamerlin SC, Warshel A. Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions. Proceedings of the National Academy of Sciences of the United States of America. 108: 14115-20. PMID 21831831 DOI: 10.1073/Pnas.1111252108  0.61
2011 Adamczyk AJ, Broadbelt LJ. Thermochemical property estimation of hydrogenated silicon clusters. The Journal of Physical Chemistry. A. 115: 8969-82. PMID 21728331 DOI: 10.1021/Jp2018023  0.572
2011 Adamczyk AJ, Warshel A. Converting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome. Proceedings of the National Academy of Sciences of the United States of America. 108: 9827-32. PMID 21617092 DOI: 10.1073/Pnas.1105714108  0.499
2011 Adamczyk AJ, Broadbelt LJ. The role of multifunctional kinetics during early-stage silicon hydride pyrolysis: reactivity of Si2H2 isomers with SiH4 and Si2H6. The Journal of Physical Chemistry. A. 115: 2409-22. PMID 21361329 DOI: 10.1021/Jp1118376  0.593
2011 Adamczyk AJ, Broadbelt LJ. Thermochemical property estimation of hydrogenated silicon clusters Journal of Physical Chemistry A. 115: 8969-8982. DOI: 10.1021/jp2018023  0.457
2011 Adamczyk AJ, Broadbelt LJ. The role of multifunctional kinetics during early-stage silicon hydride pyrolysis: Reactivity of Si2H2 isomers with SiH 4 and Si2H6 Journal of Physical Chemistry A. 115: 2409-2422. DOI: 10.1021/jp1118376  0.481
2011 Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ. Hydrogenated amorphous silicon nanostructures: Novel structure-reactivity relationships for cyclization and ring opening in the gas phase Theoretical Chemistry Accounts. 128: 91-113. DOI: 10.1007/S00214-010-0767-X  0.617
2010 Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ. Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis. Physical Chemistry Chemical Physics : Pccp. 12: 12676-96. PMID 20733986 DOI: 10.1039/C0Cp00666A  0.62
2010 Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ. Kinetics of substituted silylene addition and elimination in silicon nanocluster growth captured by group additivity. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 1978-94. PMID 20549662 DOI: 10.1002/Cphc.200900836  0.611
2010 HIDDING B, FIKRI M, BOZKURT M, SCHULZ C, SOLTNER T, KORNATH A, PFITZNER M, LANG M, ADAMCZYK AJ, BROADBELT L, ELLERBROCK H, SIMONE D, BRUNO C. Spiking of Hydrocarbon Fuels with Silanes-based Combustion Enhancers Transactions of the Japan Society For Aeronautical and Space Sciences, Aerospace Technology Japan. 8: Pa_39-Pa_45. DOI: 10.2322/Tastj.8.Pa_39  0.496
2010 Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ. Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis Physical Chemistry Chemical Physics. 12: 12676-12696. DOI: 10.1039/c0cp00666a  0.537
2010 Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ. Kinetics of substituted silylene addition and elimination in silicon nanocluster growth captured by group additivity Chemphyschem. 11: 1978-1994. DOI: 10.1002/cphc.200900836  0.494
2009 Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ. Exploring 1,2-hydrogen shift in silicon nanoparticles: reaction kinetics from quantum chemical calculations and derivation of transition state group additivity database. The Journal of Physical Chemistry. A. 113: 10933-46. PMID 19764804 DOI: 10.1021/Jp9062516  0.627
2009 Adamczyk AJ, Reyniers MF, Marin GB, Broadbelt LJ. Exploring 1,2-hydrogen shift in silicon nanoparticles: Reaction kinetics from quantum chemical calculations and derivation of transition state group additivity database Journal of Physical Chemistry A. 113: 10933-10946. DOI: 10.1021/jp9062516  0.536
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