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Publications, Chemistry and Biochemistry Research, since 2007

| Sudeep

Chemistry faculty publications, since 2007

       *UW-Eau Claire undergraduate student co-authors

       †UW-Eau Claire faculty corresponding authors)



  1. Hati, S. † and Bhattacharyya, S. "Writing a Literature Review as a Class Project in an Upper-Level Undergraduate Biochemistry Course” Biochem. Mol. Biol. Educ. 2024, 1-6. DOI:
  2. Lewis, D. E. †, “Jackson, C. M., Molecular World. Making Modern Chemistry (MIT Press, Cambridge, MA, 2023)” Ambix 2024, 71, in press [book review]. 
  3. Hebert, J.*, Hratisch, R.*, Gomes, R., Kunkel, W., Marshall, D., Ghosh, A., Doss, I.*, Ma, Y., Stedman, D., Stinson, B., Varghese, A., Mohr, M.*, Rozario, P.* ·Bhattacharyya, S. † "High-performance computing in undergraduate education at primarily undergraduate institutions in Wisconsin: progress, challenges, and opportunities" Educ. Inf. Technol. 2024. DOI:


    1. Brandt, M., Hau, N., Laatsch, B. F., Torti, A., Berthiaume, A. R., Kaat, G. M., Marcotte, E. M., Shepler, M. L., Smith, L. S., Snyder, K. L., Stepanek, J. M., Tichy, S. K., and Bailey-Hartsel, S. C.† "Use of an Integrating Cavity Spectrometer to Easily Determine Beer SRM Color Without Filtration, Centrifugation or Numerical Correction",  JASBC,  2023, 179-185. DOI:
    2. Lewis, D. E. †, “ 'The Chemical History of Color,’ but just two kinds of them.”  Bull. Hist. Chem.2023, 48, 39-49.
    3. Brock, W. H.; Lewis, D. E. †, “A Dark Comedy of Errors: Nierenstein, Freudenberg and the Structure of catechin,” Bull. Hist. Chem. 2023, 48, 170–1891. 
    4. Lewis, D. E. †, “Early organic chemistry in Kyiv: Serhii Mykolayovych Reformatskyi (1860–1934) and his name reaction,” ChemPlusChem.2023, 88 (10), e202300224 (13 pp.) 
    5. Fossum, C. J.*, Johnson, B. O. V.*, Golde, S. T.*, Kielman, A. J.*, Finke, B.*, Lowater, H. R.*, Laatsch, B.*, Bhattacharyya, S.†, & Hati, S†, "Insight into the Mechanism of Tryptophan Fluorescence Quenching due to Synthetic Crowding Agents: A Combined Experimental and Computational Study" ACS Omega, 2023, 8, 44820-44830. DOI:
    6. Parsons, S. W.*, Hucek, D. G.*, Mishra, P., Plusquellic, D. F., Zwier, T. S., & Drucker, S†. "Jet-Cooled Phosphorescence Excitation Spectrum of the T1(n,π*) ← S0 Transition of 4H-Pyran-4-one" The Journal of Physical Chemistry A. 2023, 127, 3636-3647. DOI:
    7. Laatsch, B. F.*, Brandt, M.*, Finke, B.*, Fossum, C. J.*, Wackett, M. J.*, Lowater, H. R.*, Narkiewicz-Jodko, A.*, Le, C. N.*, Yang, T., Glogowski, E. M., Bailey-Hartsel, S. C., Bhattacharyya, S.†, & Hati, S†,  "Polyethylene Glycol 20k. Does It Fluoresce?" ACS Omega, 2023, 8, 14208–14218. DOI:
    8. Vermeuel, M. P.,  Novak, G. A.,  Kilgour, D. B.,  Clafin, M. S.,  Lerner, B. M., Thom, J., Cleary, P. A.,  Desai, A. R., Bertram, T. H. “Leaf senescence alters Ambient BVOC over a mixed temperate forest” Atmospheric Chemistry and Physics, 2023, 23, 4123–4148. DOI:
    9. Tirado, J.*, Torti, A.*, Butterworth, B.*, Wangen, K.*, Voon, A.*, Kies, B.*, Hupy, J., de Boer, G., Pierce, R. B., Wagner, T. J., Cleary, P. A.†, “Observations of Coastal Dynamics During Lake Breeze at a Shoreline Impacted by High Ozone” Environmental Science: Atmospheres 2023 3, 494-505. DOI:
    10. Ghosh, A., Kunkel, W., Varghese, A., Ma, Y., Gomes, R., Bhattacharyya, S., Mohr, M.*, Doss, I., Hebert, J. "Inter-institutional Resource Sharing in Undergraduate HPC Education: Interviews with University Administrators" Ghosh, A., Kunkel, W., Varghese, A., Ma, Y., Gomes, R., Bhattacharyya, S., Mohr, M.*, Doss, I.*, Hebert, J.* SIGCSE 2023: Proc. ACM Tech. Sympos. Comp. Sci. Edu V, 2023, 848–853. DOI:


  1. Pollock, A. A.*, Huther, H. A.*,Birch, C. M.*, Reinheimer, E. W., Lewis, D. E., Gerlach, D. L†, "Crystal Structure of 2-(2,2,6,6-Tetramethyl-4-piperidinyl)-6-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione" Acta Crystallographica Section E: Crystallographic Communications, 2022, 78, 1161-1164. DOI: 
  2. Soares, C.*, Ley, A. R.*, Zehner, B. C.*, Treacy, P. W.*, Phillips, J. A.† "Matrix Effects on Hydrogen Bonding and Proton Transfer in Fluoropyridine – HCl Complexes" Physical Chemistry Chemical Physics, 2022, 24, 2371–2386. DOI: 
  3. Wysocki, M. M.*, Puzovic, G.*, Dowell, K. L.*, Reinheimer, E. W., Gerlach, D. L.†, “Crystal Structure of 1H-Imidazole-1-methanol", Acta Crystallographica Section E: Crystallographic Communications, 2022, E78, 377-380. 
  4. Wozney, A. J.*, Smith, M. A.*, Abdrabbo, M.*, Birch, C. M.*, Cicigoi, K. A.*, Dolan, C. C.*, Gerzema, A. E. L.*, Hansen, A.*, Henseler, E. J.*, LaBerge, B.*, Leavens, C. M.*, Le, C. N.*, Lindquist, A. C.*, Ludwig, R. K.*, O'Reilly, M. G.*, Reynolds, J. H.*, Sherman, B. A.*, Sillman, H. W.*, Smith, M. A.*, Snortheim, M. J.*, Svaren, L. M.*, Vanderpas, E. C.*, Wackett, M. J.*, Wwiss, M. M.*, Hati, S.† and Bhattacharyya, S.†, "Evolution of Stronger SARS-CoV-2 Variants as Revealed Through the Lens of Molecular Dynamics Simulations" The Protein Journal, 2022, 41, 1-13. DOI:
  5. Fossum, C. J.*, Laatsch, B. F.*, Lowater, H. R.* Narkiewicz-Jodko*, A. R.*, Lonzarich, L.*, Hati S. † and Bhattacharyya, S.† "Pre-existing Oxidative Stress Creates a Docking-Ready Conformation of the SARS-CoV-2 Receptor Binding Domain" ACS Bio & Med Chem Au., 2022, 2, 84–93. (DOI: 
  6. Cleary, P.A., † G de Boer, S. Borenstein, J. Hamilton, J. Hupy, B. Kies*, D. Lawrence, R.B. Pierce, J. Tirado*, A. Voon*, T. Wagner, “Observations of the Lower Atmosphere from the 2021 WiscoDISCO Campaign” Earth System Science Data, 2022, 14,  2129-2145. DOI:  
  7. Cleary, P.A., † A. Dickens, M. McIlquham *, M. Sanchez *, K. Geib *, C. Hedberg *, J. Hupy, M. W. Watson, M. Fuoco, E.R. Olson, R.B. Pierce, C. Stanier, R Long, L. Valin, S Conley, M. Smith. “Impacts of Lake Breeze meteorology on ozone gradient observations along Lake Michigan Shorelines in Wisconsin: 2017 LMOS examples. Atmospheric Environment,  2022, 269. DOI: 
  8. Stanier, C. O, Pierce, R. B., Abdi-Oskouei, M., Adelman, Z. E., Al-Saadi, J., Alwe, H. D., Bertram, T. H., Carmichael, G. R., Christiansen, M. B., Cleary, P. A., Czarnetzki, A. C., Dickens, A. F., Fuoco, M. A., Hughes, D. D., Hupy, J. P., et al. "Overview of the Lake Michigan Ozone Study 2017" Bulletin of the American Meteorological Society, 2022, 102, E2207-E2225. PMID 35837596. DOI: 


  1. Abdrabbo, M.*, Birch, C. M.*, Brandt, M., K. A.*, Coffey, S. J.*, Dolan, C. C.*, Dvorak, H.*, Gehrke, A. C.*, Gerzema, A. E. L.*, Hansen, A.*, Henseler, E. J.*, Huelsbeck, A. C.*, LaBerge, B.*, Leavens, C. M.*, Le, C. N.*, Lindquist, A. C.*, Ludwig, R. K.*, Reynolds, J. H.*, Severson, N. J.*, Sherman, B. A.*, Sillman, H. W.*, Smith, M. A.*, Smith, M. A.*, Snortheim, M. J.*, Svaren, L. M.*, Vanderpas, E. C.*, Wackett, M. J.*, Wozney, A. J.*, Bhattacharyya, S., and Hati, S.† “Vitamin D and COVID-19: A Review on the Role of Vitamin D in Preventing and Reducing the Severity of COVID-19 Infection”, Protein Science , 2021 , 30 , 2206-2220. DOI: 
  2. Munos, J. A.*, Lowney, D. T.*, and Phillips J. A.†, “Structural and energetic properties of OC–BX3 complexes: unrealized potential for bond-stretch isomerism”, Phys. Chem. Chem. Phys., 2021, 23, 14678-14686. DOI:
  3. Butterworth, B. J., Desai, A. R., Metzger, S., Townsend, P. A., Schwartz, M. D., Petty, G. W., Mauder, M., Vogelmann, H., Andresen, C. G., Augustine, T. J., Bertram, T. H., Brown, W. O. J., Buban, M., Cleary, P., Durden, D. J., Florian, C. R., Iglinski, T. J., Kruger, E. L., Lantz, K., Lee, T. R., Meyers, T. P., Mineau, J. K., Olson, E. R., Oncley, S. P., Paleri, S., Pertzborn, R. A., Pettersen, C., Plummer, D. M., Riihimaki, L. D., Guzman, E. R., Sedlar, J., Smith, E. N., Speidel, J., Stoy, P. C., Sühring, M., Thom, J. E., Turner, D. D., Vermeuel, M. P., Wagner, T. J., Wang, Z., Wanner, L., White, L. D., Wilczak, J. M., Wright, D. B.,  Zheng, T. “Connecting Land-Atmosphere Interactions to Surface Heterogeneity in CHEESEHEAD 2019” Bulletin of the American Meteorological Society, 2021, 102(2), E421- E445. DOI:
  4. Stanier, C. O., Pierce, R. B., Abdi-Oskouei, M., Adelman, Z. E., Al-Saadi, J., Alwe, H. D., Bertram, T. H., Carmichael, G. R., Christiansen, M. B., Cleary, P. A., Czarnetzki, A. C., Dickens, A. F., Fuoco, M. A., Hughes, D. D., Hupy, J. P., Janz, S. J., Judd, L. M., Kenski, D., Kowalewski, M. G., Long, R. W., Millet, D. B., Novak, G., Roozitalab, B., Shaw, S. L., Stone, E. A., Szykman, J., Valin, L., Vermeuel, M., Wagner, T. J., Whitehill, A. R., Williams, D. J. “Overview of the Lake Michigan Ozone Study 2017” Bulletin of the American Meteorological Society. , 2021 (DOI: 
  5. Doak, A.G., Christiansen, M. B.,  Alwe, H. D., Bertram, T. H., Carmichael, G., Cleary, P., Czarnetzki, A.C., Dickens, A.F., Janssen, M., Kenski, D., Millet, D. B., Novak, G., Pierce, R.B., Stone, E.A., Szykman, J., Vermeuel, M., Wagner, T.J., Valin, L., Stanier. C.O. “Characterization of ground-based atmospheric pollution and meteorology sampling stations during the Lake Michigan Ozone Study 2017” Journal of Air and Waste Managers Association, 2021, 71(7), 866-889.DOI:
  6. Lewis, D. E.† "Aleksei Yevgen'evich Chichibabin (1871-1945) and Pyridine Chemistry," Synform 2021/05, A173–A178.(
  7. Brock, W. H.; Lewis, D. E.† "A Different Kind of Nierenstein Reaction. The Chemical Society’s Mistreatment of Maximilian Nierenstein," Ann. Sci. 2021, 78, 221–245. DOI: h
  8. Lewis, D. E.† "The Logic Behind Markovnikov's Rule. Was It an Inspired Guess? …No!" Angew. Chem. Int. Ed. 2021, 60, 4412–4421. DOI: 10.1002/anie.202008228.
  9. Vermeuel, M.P., P.A. Cleary, A.R. Desai, T.H. Bertram “Simultaneous measurements of O3 and HCOOH vertical fluxes indicate that rapid in-canopy terpene chemistry drives O3 deposition in mixed temperate forests.” Geophysical Research Letters. 48, 3 (2021) 


  1. Phillips, J. A., Ley, A. R.*, Treacy, P. W.*, Wahl, B. M.*, Zehner, B. C.*, Donald, K. J., Gillespie, S.  “Structural and energetic properties of RMX3-NH3 complexes”, Int. J. Quantum Chem. 2020, 120, e26383. (DOI: 
  2. Coonen, L.*, Gajeski, A.*, Meier, A.*, Reiter, S.*, and Bailey-Hartsel, S. † "Analysis of Beer Volatiles Using Floating Solid-Phase Microextraction: Collaboration of Microbreweries with Local Universities", MBAA Technical Quarterly, 2020, 57(3), 162-166 (DOI: 
  3. Dressler, J. J.*; Charlesworth-Seiler, E. M.*; Dahl, B. J.† “Synthesis of a Triethylene Glycol-Capped Benzo[1,2-c:4,5-c']bis[2]benzopyran-5,12-dione: A Highly Soluble Dilactone-Bridged p-Terphenyl with a Crankshaft Architecture.” Tetrahedron Lett., 2020, 61, 152429 (DOI: 
  4. Meyer, S. M.*; Charlesworth-Seiler, E. M.*; Patrol, J. G.*; Kitzrow, J. P.*; Gerlach, D. A.; Reinheimer, E. W.; Dahl, B. J.†  “Synthesis and Optical Properties of a Library of Isomeric Aryldibenzopyrylium Halochromic Cations.” Tetrahedron, 2020, 76,131222.  (DOI:
  5. Hu, Q. H.*; Williams, M. T.*; Shulgina, I.*; Fossum, C.*; Weeks, K.*; Adams, L.A.*; Reinhardt, C. R.*; Musier-Forsyth K.; Hati, S. †; and Bhattacharyya, S.† “Editing Domain Motions Preorganize the Synthetic Active Site of Prolyl-tRNA Synthetase.” ACS Catal., 2020, 10, 10229-10242 (DOI: 
  6. Zajac, J.*; Anderson, H.*; Adams, L. A.*; Wangmo, D.*; Suhail, S.*; Almen, A.*; Berns, L.*; Coerber, B.*; Dawson, L.*; Hunger, A.*; Jehn, J.*; Johnson, J.*; Plack, N.*; Strasser, S.*; Williams, M. T.*; Bhattacharyya, S.; and Hati, S.†  “Effects of Distal Mutations on Prolyl-adenylate Formation of Escherichia coli Prolyl-tRNA Synthetase”, Protein J., 2020, 39, 542-553. (DOI: 
  7. Suhail, S.*; Zajac, Z.*; Fossum, C.*; Lowater, H.*; McCracken, C.*; Severson, N.*; Laatsch, B.*; Narkiewicz-Jodko, A.*; Johnson, B.*; Liebau, J.*; Bhattacharyya, S.; and Hati, S.† “Role of Oxidative Stress on SARS-CoV (SARS) and SARS-CoV-2 (COVID-19) Infection: A Review.” Protein J., 2020, 39(6):644-656 (DOI:  
  8. Hati S. and Bhattacharyya, S.† “Impact of Thiol-Disulfide Balance on the Binding of Covid-19 Spike Protein with Angiotensin Converting Enzyme 2 Receptor.” ACS Omega, 2020, 5(26):16292-16298 (DOI:  
  9. Lewis, D. E.† "The Nazarov Cyclization." Synform 2020/03, A43–A49. (
  10. Lewis, D. E.† "Johann Wilhelm Friedrich Adolf von Baeyer (1835–1917) and Victor Villiger (1868–1934): Peracid Oxidation of Ketones." Synform 2020/12, A173–A178. (
  11. Lewis, D. E.† "Yevgenii Konstantinovich Zavoiskii and the battle for EPR." In Strom, E. T.; Mainz, V. V., Eds. Pioneers of Magnetic Resonance; ACS Symp. Ser. 2020, 1349, Ch. 6, pp. 113-122. (DOI:


  1. Law, A. C., Stankowski, D. S., Bomann, B. H.*, Suhail, S.*, Salmon, K. H., Paulson, S. W., Carney, M. J.†, Robertson, N. J. “Synthesis and material properties of elastomeric high molecular weight polycycloacetals derived from diglycerol and meso-erythritol” J. Appl. Polym. Sci., 2019, 137, 48780. 
  2. Adams, L. A.*, Andrews, R. J.*, Hu, Q. H.*, Smit, H. L.*, Hati, S. †, and Bhattacharyya, S. †  “Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase.” Biophys. J., 2019, 117, 1269-1284. 
  3. Phillips, J.A. “Modeling Reaction Energies and Exploring Noble Gas Chemistry in the Physical Chemistry Laboratory”, in “Using Computations to Teach Chemical Concepts”, ACS Monograph Series, ACS Publications, 2019. 
  4. Sessions, A. G.*, McDonnell, M. P.*, Christianson, D. A.*, Drucker, S.† “Triplet and Singlet (n,π*) Excited States of 4H‑Pyran-4-one Characterized by Cavity Ring-down Spectroscopy and Quantum-Chemical Calculations,” J. Phys. Chem. 2019, 123, 6269. 
  5. Lewis, D. E.† "Mendeleev, Menshutkin and Beilstein: A new generation takes over." Synform 2019/04, A57–A61. (
  6. Lewis, D. E.† "Carbocation rearrangements: the pinacol, Wagner-Meerwein, Demjanov, and Tiffeneau-Demjanov rearrangements." Synform 2019/08, A121–A127. (
  7. Lewis, D. E.† "Reaction regiochemistry: Markovnikov, Zaitsev and Hofmann." Synform 2019/11, A172–A179. (
  8. Lewis, D. E.† The Wolff-Kishner Reduction and Related Reactions. Discovery and Development. Elsevier: Amsterdam, 2019. 
  9. Lewis, D. E.† "The minor impurity in spent ores of the "Siberian metal": ruthenium at 175." Chem. Eur. J. 2019, 25, 11394-11401. (DOI: 10.1002/chem.201901922
  10. Lewis, D. E.† "Static to dynamic: Kazan chemists and the transformation from chemical structure to reaction regiochemistry." Angew. Chem. Int. Ed. 2019, 58, 3694–3705. (DOI: 10.1002/anie.201804036
  11. Lewis, D. E.† "1860-1861: Magic years in the development of the Structural Theory of organic chemistry." Bull. Hist. Chem. 2019, 44, 77–91. 


  1. Reinhardt, C. R.*, Hu, Q. H.*, Bresnahan, C. G.*, Hati, S., Bhattacharyya, S.  “Cyclic Changes in Active Site Polarization and Dynamics Drive the ‘Ping-pong’ Kinetics in NRH: Quinone Oxidoreductase 2: An Insight from QM/MM Simulations.” ACS Catal.,  2018, 8 (12), 12015–12029 (DOI: 
  2. Hati S. and Bhattacharyya, S. “Integrating Research into the Curriculum – A Low-cost Strategy for Promoting Undergraduate Research”, ACS Book Chapter (Book: Best Practices for Supporting and Expanding Undergraduate Research in Chemistry), 2018, 119–141.  
  3. McNider, R. T., Pour-Biazar, A., Doty, K., White, A., Wu, Y., Qin, M., Hu, Y., Odman, T., Cleary, P., Knipping, E., Dornblaser, B., Lee, P., Hain, C., McKeen, S. “Examination of the Physical Atmosphere in the Great Lakes Region and Its Potential Impact on Air Quality—Overwater Stability and Satellite Assimilation”, Journal of Applied Meteorology and Climatology, 2018, 57(12), 2789-2816. (DOI: 
  4. Zhang, J.*, Fischer, C.*, Oster, J.*, Mooney, R.*, Chaves, J. D. C.*, Cleary, P. A.†  “Characterization of Ambient Particle Matter Sampled at an Active Sand Mine Facility in Northwestern Wisconsin”, American Journal of Undergraduate Research, 2018, 15, 2. 
  5. N.J. Hora,* B.M. Wahl,* C. Soares,* S.A. Lara,* J.R. Lanska,* and J.A. Phillips† “On the Interactions of Nitriles and Fluoro-Substituted Pyridines with Silicon Tetrafluoride: Computations and Thin Film IR Spectroscopy”,  J. Molec. Struct. 2018, 1157, 679. 
  6. Lewis, D. E.† "Charles Friedel (1832-1899) and James Mason Crafts (1839-1917): the Friedel-Crafts Alkylation and Acylation Reactions." Synform 2018/4, A49–A53. 
  7. Lewis, D. E.† "Rearrangement to electron-deficient nitrogen. 1. A. W. Hofmann (1818-1892), W. Lossen (1838-1906), and T. Curtius (1857-1928)." Synform 2018/7, A107–A110. 
  8. Dieringer, R. K.*; Hunter, H. K.*; Lewis, D. E.†, “Philippe Barbier (1848-1922) and Victor Grignard (1871-1935): Pioneers of organomagnesium chemistry.” Synform 2018/10, A155–A159. 
  9. Lewis, D. E.† "High creativity and historical invisibility: The rise of a chemical community in Russia." In Rasmussen, S.C., Ed. Igniting the Ring of Fire: Historical Evolution of the Chemical Communities in the Countries of the Pacific Rim. (World Scientific Publishing: Singapore, 2018); Ch. 11, pp. 309–354. 
  10. Lewis, D. E.† "Introduction to an English translation of Markovnikov's first paper describing 'Markovnikov's Rule.'" Bull. Hist. Chem. 2018, 43, 21–23. (
  11. Lewis, D. E.† "Primary Documents. 'On the question of the mutual influence of atoms in chemical compounds.' V. Morkovnikov. Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1869, 1, 242-247." Translated by David E. Lewis. Bull. Hist. Chem. 2018, 43, 24–26. (


  1. Meeuwsen, S.*, Adams, L. M.*, Hodac, A. N., * McMunn, R. D.*, Maxwell, A. S.*, Carothers, K. J.*, Egdorf, R. E.*, Hanneman, P. M.*, Kitzrow, J. P.*,  Keonigsberg, C. K.*, Lopez-Martinez, O.*,  Matthew, P. A. *, Richter, E. H.*, Schenk, J. E.*, Schmit, H. L.*, Scott, M. A.*, Volenec, E. M.*, and Hati, S.  “Investigation of Intrinsic Dynamics of Enzymes Involved in Metabolic Pathways using Coarse-grained Normal Mode Analysis” Cogent Biology, 2017, 3, 1291877 (open access).  
  2. Mitchell, S.*, Lato, A.*, Hurst, O.*, Adams, L.*, Dahl, J. and Sanchita Hati† “Nanoparticles and Escherichia coli prolyl-tRNA synthetase: Impact of Au and Ag nanoparticles on protein conformation and function”, Curr. Top. Pept. Protein. Res. 2017, 18, 17-24.  
  3.  Fehling, S. C.*, Strom, A. M.*, Lehman, B. P.*, Andrews, R. J.*, Bhattacharyya, S. and Hati, S.† “A Comparative Study of All-atom Molecular Dynamics Simulation and Coarse-grained Normal Mode Analysis in Identifying Pre-existing Residue Interaction Networks that Promote Coupled-Domain Dynamics in Escherichia coli Methionyl-tRNA Synthetase”, American J. of Undergraduate Research, 2017, 14, 27-44.  
  4. Hintz, H. A.*; Sortedahl, N. J.*; Meyer, S. M.*; Decato, D. A.*; Dahl, B. J. † “The Synthesis of Lactone-Bridged 1,3,5-Triphenylbenzene Derivatives as Pi-Expanded Coumarin Triskelions.” Tetrahedron Lett. 2017, 58, 4703-4708 (DOI: 0.1016/j.tetlet.2017.11.010). 
  5. Mooneyham, A. E.*; McDonnell, M. P.*; Drucker, S. † “Cavity Ringdown Spectrum of 2‑Cyclohexen-1-one in the CO/Alkenyl CC Stretch Region of the S1(n,π*) − S0 Vibronic Band System”, J. Phys. Chem. 2017, 121, 2343. 
  6. J.A. Phillips, S.J. Danforth, N.J. Hora, J.R. Lanska, and A.W. Waller “Structural and Energetic Properties of Haloacetonitrile–BCl3 Complexes: Computations and Matrix-IR Spectroscopy”,   J. Phys. Chem. A 2017, 121, 9252–9261. 
  7. Deiringer, R. K.*; Lewis, D. E.† "Arthur Michael (1853–1942): The Michael Addition Reaction." Synform, 2017/09, A142–144. 
  8. Lewis, D. E.† "Independent Discoveries: The Wolff-Kishner Reduction." Synform, 2017/12, A208-A212. 
  9. Lewis, D. E.† "Yevgenii Konstantinovich Zavoiskii (1907-1976): Overlooked Pioneer in Magnetic Resonance." In Strom, E. T.; Mainz, V. V., Eds. The Posthumous Nobel Prize in Chemistry: Correcting the Errors & Oversights of the Nobel Prize Committee. ACS Symp. Ser. 2017, 1262, Ch. 10, pp. 219–241. (DOI:
  10. Lewis, D. E.† "A. Ye. Arbuzov: Father of organophosphorus chemistry in Russia." Bull. Hist. Chem., 2017, 42, 112–125. (
  11. Lewis, D. E.† "Aleksei Yevgen'evich Chichibabin (1871-1945): A century of pyridine chemistry" Angew. Chem. Int. Ed. 2017, 56, 9660–9668 (DOI: 10.1002/anie.201611724); 
  12. Lewis, D. E.† “Alexei Jewgenjewitsch Tschitschibabin (1871–1945): ein Jahrhundert Pyridinchemie Angew. Chem. 2017, 129, 9788–9796. (DOI: 10.1002/ange.201611724
  13. Suntsov, V.*; Lewis, D. E.† "After the Revolution: Nikolai Matveevich Kizhner (1867-1935) in Soviet Moscow." Bull. Hist. Chem. 2017, 42, 46–56. (
  14. Anderson, S. M.*; Mitchell, S. D.*; LaPlante, K. A.*; McKenney, R. K.*; Lewis, D. E.† "General acid and base catalysis in transamination of 6-chloro-2-aryl-1H-benz[de]isoquinoline-1,3-(2H)-dione and its implications in laser tissue welding." J. Heterocycl. Chem. 2017, 54, 2029–2037. (DOI:
  15. Lewis, D. E.† "Intramolecular pericyclic reactions of acetylene derivatives leading to dehydroaromatic and related species." Minirev. Org. Chem. 2017, 14, 107–121. (DOI:


  1. Weiss, N. M. *, Waller, A. W. *, and Phillips, J. A. † “Infrared spectrum of CH3CN–HCl in solid neon, and modeling matrix effects in CH3CN–HCl and H3N–HCl”. J. Mol. Struc.,  2016, 1105, 341–349. 
  2. Reinhardt*, C. R., Jaglinski*, T. C., Kastenschmidt*, A. M., Song*, E. H., Gross*, A. K., Krause*, A. J., Gollmar*, J. M., Meise*, K. J., Stenerson*, Z. S., Weibel*, T. J., Dison*, A., Finnegan*, M. R., Griesi*, D. S., Heltne*, M. D., Hughes*, T. G., Hunt*, C. D., Jansen*, K. A., Xiong*, A. H., Hati, S., and Bhattacharyay, S. (2016) Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory study. J Mol Model 22, 199.
  3. Weiss*, N. M., Waller*, A. W., and Phillips, J. A. (2016) Infrared spectrum of CH3CN–HCl in solid neon, and modeling matrix effects in CH3CN–HCl and H3N–HCl. Journal of Molecular Structure 1105, 341–349.
  4.  Leong*, C. H., Porras, I., and King, F. W. (2016) Analysis of atomic integrals involving explicit correlation factors for the three-electron case. I. Connection to the hypergeometric function 3F2. J Math Chem 54, 1514–1552.
  5.  King, F. W. (2016) The evaluation of some four-electron correlated integrals with a Slater basis arising in linear and nonlinear r12 theories. Journal of Physics B: Atomic, Molecular and Optical Physics 49, 105001.
  6.  Hati, S., and Bhattacharyya, S. (2016) Incorporating modeling and simulations in undergraduate biophysical chemistry course to promote understanding of structure-dynamics-function relationships in proteins: Biophysical Chemistry Laboratory Course. Biochemistry and Molecular Biology Education 44, 140–159.
  7. DiSpirito, A. A., Semrau, J. D., Murrell, J. C., Gallagher, W. H., Dennison, C., and Vuilleumier, S. (2016) Methanobactin and the Link between Copper and Bacterial Methane Oxidation. Microbiology and Molecular Biology Reviews 80, 387–409.


  1.  Suntsov*, V., and Lewis, D. E. (2015) Introduction to an English translation of Kizhner’s pioneering papers on deoxygenation. Bull. Hist. Chem 40, 61–73.
  2.  Lewis, D. E. (2015) Introduction to an english translation, “On the different explanations of certain cases of isomerism” by Alexsandr Butlerov. Bull. Hist. Chem 40, 9–28,61–73.
  3.  Lewis, D. E. (2015) Advanced Organic Chemistry. Oxford University Press, New York.
  4.  Laskowski*, A. E., Decato*, D. A., Strandwitz*, M. S., and Dahl, J. A. (2015) Microwave synthesis of a bimodal mixture of triangular plate and spheroidal silver nanoparticles. MRS Communications 5, 311–317.
  5.  Dressler*, J. J., Miller*, S. A., Meeuwsen*, B. T., Riel*, A. M. S., and Dahl, B. J. (2015) Synthesis of dilactone bridged terphenyls with crankshaft architectures. Tetrahedron 71, 283–292.
  6.  Dorner*, M. E., McMunn*, R. D., Bartholow*, T. G., Calhoon*, B. E., Conlon*, M. R., Dulli*, J. M., Fehling*, S. C., Fisher*, C. R., Hodgson*, S. W., Keenan*, S. W., Kruger*, A. N., Mabin*, J. W., Mazula*, D. L., Monte*, C. A., Olthafer*, A., Sexton*, A. E., Soderholm*, B. R., Strom*, A. M., and Hati, S. (2015) Comparison of intrinsic dynamics of cytochrome p450 proteins using normal mode analysis. Protein Science 24, 1495–1507.
  7.  Cleary, P. A., Fuhrman*, N., Schulz, L., Schafer, J., Fillingham, J., Bootsma, H., McQueen, J., Tang, Y., Langel, T., McKeen, S., Williams, E. J., and Brown, S. S. (2015) Ozone distributions over southern Lake Michigan: comparisons between ferry-based observations, shoreline-based DOAS observations and model forecasts. Atmos. Chem. Phys. 15, 5109–5122.
  8.  Bresnahan*, C. G., Reinhardt*, C. R., Bartholow*, T. G., Rumpel*, J. P., North*, M., and Bhattacharyya, S. (2015) Effect of stacking interactions on the thermodynamics and kinetics of lumiflavin: a study with improved density functionals and density functional tight-binding protocol. The Journal of Physical Chemistry A 119, 172–182.


  1.  Wrass*, J. P., Sadowsky, D., Bloomgren*, K. M., Cramer, C. J., and Phillips, J. A. (2014) Quantum chemical and matrix-IR characterization of CH3CN–BCl3: a complex with two distinct minima along the B–N bond potential. Physical Chemistry Chemical Physics 16, 16480–16491.
  2.  Warren*, N., Strom*, A., Nicolet*, B., Albin*, K., Albrecht*, J., Bausch*, B., Dobbe*, M., Dudek*, M., Firgens*, S., Fritsche*, C., Gunderson*, A., Heimann*, J., Her*, C., Hurt*, J., Konorev*, D., Lively*, M., Meacham*, S., Rodriguez*, V., Tadayon*, S., Trcka*, D., Yer*, Y., Bhattacharyya, S., and Hati, S. (2014) Comparison of the intrinsic dynamics of aminoacyl-tRNA synthetases. The protein journal 33, 184–198.
  3.  Suntsov*, V., and Lewis, D. E. (2014) A century of base-promoted decomposition of hydrazones: the Tomsk years of Nikolai Matveevich Kizhner (1867-1935. Bull. Hist. Chem 39, 43–52.
  4.  Strom*, A. M., Fehling*, S. C., Bhattacharyya, S., and Hati, S. (2014) Probing the global and local dynamics of aminoacyl-tRNA synthetases using all-atom and coarse-grained simulations. Journal of molecular modeling 20, 1–11.
  5.  Sanders II*, T. A., Sauceda*, M. N., and Dahl, J. A. (2014) Langmuir isotherms of flexible, covalently crosslinked gold nanoparticle networks: Increased collapse pressures of membrane-like structures. Materials Letters 120, 159–162.
  6.  Lewis, D. E. (2014) Citations for Chemical Breakthroughs: Mendeleev’s Periodic System of the Elements. Bull. Hist. Chem 39, 1–6.
  7.  Krall, E. M., Klein, T. W., Andersen, R. J., Nett*, A. J., Glasgow*, R. W., Reader, D. S., Dauphinais, B. C., Ilrath, S. P. M., Fischer*, A. A., Carney, M. J., Hudson, D. J., and Robertson, N. J. (2014) Controlled hydrogenative depolymerization of polyesters and polycarbonates catalyzed by ruthenium(II) PNN pincer complexes. Chem. Commun. 50, 4884–4887.
  8.  King, F. W. (2014) On the evaluation of four-electron correlated integrals with a Slater basis: some simplifications and some closed form examples. Journal of Physics B: Atomic, Molecular and Optical Physics 47, 025003.
  9.  Helminiak*, H. M., Knauf*, R. R., Danforth*, S. J., and Phillips, J. A. (2014) Structural and Energetic Properties of Acetonitrile–Group IV (A & B) Halide Complexes. The Journal of Physical Chemistry A 118, 4266–4277.
  10.  Bartholow*, T. G., Sanford*, B. L., Cao*, B., Schmit*, H. L., Johnson*, J. M., Meitzner*, J., Bhattacharyya, S., Musier-Forsyth, K., and Hati, S. (2014) Strictly conserved lysine of prolyl-tRNA synthetase editing domain facilitates binding and positioning of misacylated tRNAPro. Biochemistry 53, 1059–1068.


  1.  McKenney*, R. K., Groess*, L. L., Kopidlansky*, K. M., Dunkle*, K. L., and Lewis, D. E. (2013) The heterocyclic ring of 4-substituted-1,8-naphthalimides is NOT inert to nucleophilic attack, contrary to earlier reports. Org. Biomol. Chem. 11, 4390–4396.
  2.  McAnally*, M. O., Zabronsky*, K. L., Stupca*, D. J., Phillipson*, K., Pillsbury*, N. R., and Drucker, S. (2013) Lowest triplet (n,π*) state of 2-cyclohexen-1-one: Characterization by cavity ringdown spectroscopy and quantum-chemical calculations. The Journal of Chemical Physics 139, 214311.
  3.  Lewis, D. E. (2013) Yegor Yegorovich Vagner (1849-1903): A “Wondrously Sharpwitted” Chemist. ACS symposium series 1136, 143–165.
  4.  Lewis, D. E. (2013) Disability, Despotism, Deoxygenation—From Exile to Academy Member: Nikolai Matveevich Kizhner. Angew. Chem. Int. Ed. 52, 11704–11712.
  5.  King, F. W. (2013) High-precision calculations of the hyperfine constants and some selected transition energies for the low-lying 4S levels of the lithium atom. International Journal of Quantum Chemistry 113, 2534–2539.
  6.  Johnson*, J. M., Sanford*, B. L., Strom*, A. M., Tadayon*, S. N., Lehman*, B. P., Zirbes*, A. M., Bhattacharyya, S., Musier-Forsyth, K., and Hati, S. (2013) Multiple pathways promote dynamical coupling between catalytic domains in Escherichia coli prolyl-tRNA synthetase. Biochemistry 52, 4399–4412.
  7.  Hlavacek*, N. C., McAnally*, M. O., and Drucker, S. (2013) Lowest triplet (n, π*) electronic state of acrolein: Determination of structural parameters by cavity ringdown spectroscopy and quantum-chemical methods. The Journal of Chemical Physics 138, 064303.
  8.  Her*, C., Westler, W. M., and Yang, T. (2013) Significance of Proline Residue on Short Mucin Peptide Interactions with Mouse MUC1 Monoclonal Antibody Studied by Saturation Transfer Difference NMR Spectroscopy. JSM Chem 1.
  9.  Buchberger*, A. R., Danforth*, S. J., Bloomgren*, K. M., Rohde*, J. A., Smith*, E. L., Gardener*, C. C., and Phillips, J. A. (2013) Condensed-Phase Effects on the Structural Properties of FCH2CN–BF3 and ClCH2CN–BF3: A Matrix-Isolation and Computational Study. The Journal of Physical Chemistry B 117, 11687–11696.


  1.  Young Jr, V. G., Henderson, W. A., and Carney, M. J. (2012) Enantiotropic Serendipity: Using DSC to Assist in the Data Acquisition of Otherwise Routine Single Crystal Diffraction Experiments, in American Crystallographic Association Annual Meeting. Boston, MA.
  2.  Sydora, O. L., Jones*, T. C., Small, B. L., Nett*, A. J., Fischer*, A. A., and Carney, M. J. (2012) Selective Ethylene Tri-/Tetramerization Catalysts. ACS Catalysis 2, 2452–2455.
  3.  Schiedler, S., Peterson, R., Showsh, S., and Yang, T. (2012) Determining the Efficacy of IonatorEXPTM Activated Tap Water on Growth of Staphylococcus aures and Escherichia coli. American J. Undergrad. Res. 10, 11–18.
  4.  Sanford*, B., Cao*, B., Johnson*, J. M., Zimmerman*, K., Strom*, A. M., Mueller*, R. M., Bhattacharyya, S., Musier-Forsyth, K., and Hati, S. (2012) Role of coupled dynamics in the catalytic activity of prokaryotic-like prolyl-tRNA synthetases. Biochemistry 51, 2146–2156.
  5.  Prust*, E. E., Carlson*, E. J., and Dahl, B. J. (2012) 6-Aryldibenzo[b,d]pyrylium salts: synthesis and characterization of a reversible pH-driven optical and spectroscopic response. Tetrahedron Letters 53, 6433–6435.
  6.  Liu, X.-T., Schwan, W. R., Volk, T. J., Rott, M., Liu, M., Huang, P., Liu, Z., Wang, Y., Zitomer, N. C., Sleger, C., Hartsel, S., Monte, A., and Zhang, L. (2012) Antibacterial Spirobisnaphthalenes from the North American Cup Fungus Urnula craterium. Journal of Natural Products 75, 1534–1538.
  7.  Lewis, D. E. (2012) Early Russian organic chemists and their legacy (Rasmussen, S., Ed.). Springer: Heidelberg.
  8.  Knauf*, R. R., Helminiak*, H. M., Wrass*, J. P., Gallert*, T. M., and Phillips, J. A. (2012) Structural and energetic properties of alkylfluoride-BF3 complexes in the gas phase and condensed-phase media: computations and matrix infrared spectroscopy. Journal of Physical Organic Chemistry 25, 493–501.
  9.  Janssen*, E. L., Salazar*, I. E., Friday, S. R., and Wiegel, K. N. (2012) Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: flexible bis-cinnamic acids as hydrogen bond donors in thermoreversible networks and polymers. Liquid Crystals 39, 857–863.
  10.  Fredrickson*, D. D., Hilberg*, B. A., Lasure*, K. K., Tessner*, J. D., Waner*, A. E., Zenner*, M. D., and Wiegel, K. N. (2012) Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: a study of rigid networking agents in supramolecular systems. Liquid Crystals 39, 1243–1251.
  11.  Carlson*, E. J., Riel*, A. M. S., and Dahl, B. J. (2012) Donor–acceptor biaryl lactones: pH induced molecular switches with intramolecular charge transfer modulation. Tetrahedron Letters 53, 6245–6249.
  12.  Bandow, N., Gilles, V. S., Freesmeier, B., Semrau, J. D., Krentz*, B., Gallagher, W., McEllistrem, M. T., Hartsel, S. C., Choi, D. W., Hargrove, M. S., Heard*, T. M., Chesner*, L. N., Braunreiter*, K. M., Cao*, B. V., Gavitt*, M. M., Hoopes*, J. Z., Johnson*, J. M., Polster*, E. M., Schoenick*, B. D., Umlauf*, A. M., and Dispirito, A. A. (2012) Spectral and copper binding properties of methanobactin from the facultative methanotroph Methylocystis strain SB2. J Inorg Biochem 110, 72–82.


  1. Smith*, E. L., Sadowsky, D., Cramer, C. J., and Phillips, J. A. (2011) Structure, bonding, and energetic properties of nitrile-borane complexes: RCN-BH3. J Phys Chem A 115, 1955–1963.
  2. Porras, I., Schuster*, C. D., and King, F. W. (2011) Convergence Accelerator Approach to the Numerical Evaluation of Hilbert Transforms Based on Expansions in Hermite Functions. IAENG International Journal of Applied Mathematics 41, 252–259.
  3.  Porras, I., Schuster*, C. D., and King, F. W. (2011) Combined eigenfunction expansion and convergence accelerator approach to the rapid numerical evaluation of Hilbert transforms. Proc. of the World Congress on Engineering 1, 1–6.
  4.  Mueller*, R. M., North*, M. A., Yang*, C., Hati, S., and Bhattacharyya, S. (2011) Interplay of flavin’s redox states and protein dynamics: an insight from QM/MM simulations of dihydronicotinamide riboside quinone oxidoreductase 2. J Phys Chem B 115, 3632–3641.
  5. Morales, C. M., and Thompson, W. H. (2011) Molecular-level mechanisms of vibrational frequency shifts in a polar liquid. J Phys Chem B 115, 7597–7605.
  6. Mills, N. S., Cheng, F. E., Baylan, J. M., Tirla, C., Hartmann, J. L., Patel, K. C., Dahl, B. J., and McClintock, S. P. (2011) Dictions of 3-Phenyl-indenylidene Dibenzo[ a . d ]cycloheptene: The Role of Charge in the Antiaromaticity of Cationic Systems. The Journal of Organic Chemistry 76, 645–653.
  7.  Miesen*, R. F., Friday*, S. R., and Wiegel, K. N. (2011) Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: a study of flexible bis-acids and a mixture of rigid and flexible polypyridyls. Liquid Crystals 38, 1341–1347.
  8.  Lewis, D. E. (2011) A. M. Zaitsev: Lasting Contributions of a Synthetic Virtuoso a Century after his Death. Angew. Chem. Int. Ed. 50, 6452–6458.
  9.  King, F. W., Quicker*, D., and Langer*, J. (2011) Compact wave functions for the beryllium isoelectronic series, Li− to Ne6+: A standard Hylleraas approach. The Journal of Chemical Physics 134, 124114.
  10.  Hammers*, M. D., Wichman*, J. J., and Wiegel, K. N. (2011) Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: a study of increased flexibility on distonic mesogenic hydrogen bond acceptors with networks created from tetrakis-, tris-and bis-functionalised pyridyl networking agents. Liquid Crystals 38, 581–587.
  11.  Bandow, N. L., Gallagher, W. H., Behling*, L., Choi, D. W., Semrau, J. D., Hartsel, S. C., Gilles, V. S., and DiSpirito, A. A. (2011) Chapter seventeen - Isolation of Methanobactin from the Spent Media of Methane-Oxidizing Bacteria, in Methods in Enzymology (Ragsdale, A. C. R. and S. W., Ed.), pp 259–269. Academic Press.


  1.  Stromich*, J. J., Weber*, A. K., Mirzaei, Y. R., Caldwell, M. D., and Lewis, D. E. (2010) New adjuvants to enhance anticoagulant activity of warfarin. Bioorganic & medicinal chemistry letters 20, 1928–1932.
  2.  Smith*, E. L., Sadowsky, D., Phillips, J. A., Cramer, C. J., and Giesen, D. J. (2010) A short yet very weak dative bond: structure, bonding, and energetic properties of N2-BH3. J Phys Chem A 114, 2628–2636.
  3.  Small, B. L., Rios, R., Fernandez, E. R., Gerlach*, D. L., Halfen, J. A., and Carney, M. J. (2010) Oligomerization of Ethylene Using New Tridentate Iron Catalysts Bearing α-Diimine Ligands with Pendant S and P Donors. Organometallics 29, 6723–6731.
  4.  North*, M. A., Bhattacharyya, S., and Truhlar, D. G. (2010) Improved density functional description of the electrochemistry and structure-property descriptors of substituted flavins. J Phys Chem B 114, 14907–14915.
  5.  McDonald, A. R., Bukowski, M. R., Farquhar, E. R., Jackson, T. A., Koehntop, K. D., Seo, M. S., De Hont, R. F., Stubna, A., Halfen, J. A., Münck, E., Nam, W., and Que, L. (2010) Sulfur versus iron oxidation in an iron-thiolate model complex. J. Am. Chem. Soc. 132, 17118–17129.
  6.  Lewis, D. E. (2010) Feuding Rule-Makers: Vladimir Vasil’evich Markovnikov (1838-1904) and Aleksandr Mikhailovich Zaitsev (1841-1910). A Commentary on the Origins of Zaitsev’s Rule. Bull. Hist. Chem 35, 115–124.
  7.  Lewis, D. E. (2010) The protocenter concept: A method for teaching stereochemistry. Journal of Chemical Education 87, 604–607.
  8.  Lewis, D. E. (2010) 150 Years of Organic Structures. ACS symposium series 1044, 35–57.
  9.  Krentz*, B. D., Mulheron*, H. J., Semrau, J. D., Di Spirito, A. A., Bandow, N. L., Haft, D. H., Vuilleumier, S., Murrell, J. C., McEllistrem, M. T., Hartsel, S. C., and Gallagher, W. H. (2010) A Comparison of Methanobactins from Methylosinus trichosporium OB3b and Methylocystis Strain SB2 Predicts Methanobactins Are Synthesized from Diverse Peptide Precursors Modified To Create a Common Core for Binding and Reducing Copper Ions. Biochemistry 49, 10117–10130.
  10.  Grubel, K., Rudzka, K., Arif, A. M., Klotz*, K. L., Halfen, J. A., and Berreau, L. M. (2010) Synthesis, characterization, and ligand exchange reactivity of a series of first row divalent metal 3-hydroxyflavonolate complexes. Inorg Chem 49, 82–96.
  11.  Greuel*, J. R., Witte*, D. K., Morales, C. M., and Wiegel, K. N. (2010) Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding. Liquid Crystals 37, 1127–1131.
  12.  Greuel*, J. R., Andrews*, T. E., Wichman*, J. J., Tessner*, J. D., and Wiegel, K. N. (2010) Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding: networks and linear polymers created from tris- and bis-functionalised pyridyl networking agents. Liquid Crystals 37, 1515–1520.
  13.  Choi, D. W., Bandow, N. L., McEllistrem, M. T., Semrau, J. D., Antholine, W. E., Hartsel, S. C., Gallagher, W., Zea, C. J., Pohl, N. L., Zahn, J. A., and DiSpirito, A. A. (2010) Spectral and thermodynamic properties of methanobactin from gamma-proteobacterial methane oxidizing bacteria: a case for copper competition on a molecular level. J Inorg Biochem 104, 1240–7.


  1.  Weimer*, K. M. E., Shane*, B. L., Brunetto*, M., Bhattacharyya, S., and Hati, S. (2009) Evolutionary Basis for the Coupled-domain Motions in Thermus thermophilus Leucyl-tRNA Synthetase. J. Biol. Chem. 284, 10088–10099.
  2.  Springer*, M. G., Hlavacek*, N. C., Jagusch*, S. P., Johnson*, A. R., and Drucker, S. (2009) Cavity ringdown spectrum of the T(1)(n,pi*) <-- S(0) transition of 4-cyclopentene-1,3-dione. J Phys Chem A 113, 13318–13326.
  3.  Ruiz-Pernía, J. J., Garcia-Viloca, M., Bhattacharyya, S., Gao, J., Truhlar, D. G., and Tuñón, I. (2009) Critical role of substrate conformational change in the proton transfer process catalyzed by 4-oxalocrotonate tautomerase. J. Am. Chem. Soc. 131, 2687–2698.
  4.  Rauschnot*, J. C., Yang*, C., Yang*, V., and Bhattacharyya, S. (2009) Theoretical Determination of the Redox Potentials of NRH:Quinone Oxidoreductase 2 Using Quantum Mechanical/Molecular Mechanical Simulations. J. Phys. Chem. B 113, 8149–8157.
  5.  Klotz*, K. L., Slominski*, L. M., Riemer*, M. E., Phillips, J. A., and Halfen, J. A. (2009) Mechanism of the Iron-Mediated Alkene Aziridination Reaction: Experimental and Computational Investigations. Inorganic Chemistry 48, 801–803.
  6.  King, F. W. (2009) Hilbert Transforms: Volume 2. Cambridge University Press, Cambridge Eng. ; New York.
  7.  King, F. W. (2009) Hilbert Transforms: Volume 1. Cambridge University Press.
  8.  King, F. W. (2009) High-precision calculations of the hyperfine constants for the low-lying excited 2S States of Be+. J Phys Chem A 113, 4110–4116.
  9.  Eigner*, A. A., Wrass*, J. P., Smith*, E. L., Knutson*, C. C., and Phillips, J. A. (2009) Structural properties of CH3CN–SO2 in the gas phase and condensed-phase media via density functional theory and infrared spectroscopy. Journal of Molecular Structure 919, 312–320.
  10.  Doering*, S. R., Strobush*, K. M., Marschall, J., and Boulter, J. E. (2009) The effect of microwave-frequency discharge-activated oxygen on the microscale structure of low-temperature water ice films. The Journal of Chemical Physics 131, 224706.


  1.  Zhou, Y., Shan, X., Mas-Ballesté, R., Bukowski, M. R., Stubna, A., Chakrabarti, M., Slominski*, L., Halfen, J. A., Münck, E., and Que, L. (2008) Contrasting cis and trans Effects on the Reactivity of Nonheme Oxoiron(IV) Complexes. Angewandte Chemie International Edition 47, 1896–1899.
  2.  Rishard, M. Z. M., Brown*, E. A., Ausman*, L. K., Drucker, S., Choo, J., and Laane, J. (2008) Ultraviolet cavity ringdown spectra and the S1(n,pi) ring-inversion potential energy function for 2-cyclohexen-1-one-d0 and Its 2,6,6-d3 isotopomer. J Phys Chem A 112, 38–44.
  3.  King, F. W. (2008) One-center Slater-type integrals with explicit correlation factors., in Recent advances in computational chemistry: molecular integrals over slater orbitals, pp 39–84. Transworld Research Network, Trivandrum.
  4.  Hoffelt*, L. M., Springer*, M. G., and Drucker, S. (2008) Phosphorescence excitation spectrum of the T1(n,π*)←S0 transition of 4H-pyran-4-one. The Journal of Chemical Physics 128, 104312.
  5.  Feldmann*, D. M., and King, F. W. (2008) Upper bound to the critical binding nuclear charge for a three-electron atomic system. J. Phys. B: At. Mol. Opt. Phys. 41, 025002.
  6.  Emmert III*, F. L., Thomas*, J., Hon*, B., and Gengenbach, A. J. (2008) Metalloporphyrin catalyzed oxidation of methyl yellow and related azo compounds. Inorganica Chimica Acta 361, 2243–2251.
  7.  Eierman, R. J. (2008) The Teaching Philosophy Statement: Purposes and Organizational Structure. J. Chem. Educ. 85, 336.
  8.  Choi, D. W., Semrau, J. D., Antholine, W. E., Hartsel, S. C., Anderson, R. C., Carey, J. N., Dreis, A. M., Kenseth, E. M., Renstrom, J. M., Scardino*, L. L., Van Gorden*, G. S., Volkert*, A. A., Wingad*, A. D., Yanzer*, P. J., McEllistrem, M. T., de la Mora, A. M., and DiSpirito, A. A. (2008) Oxidase, superoxide dismutase, and hydrogen peroxide reductase activities of methanobactin from types I and II methanotrophs. Journal of Inorganic Biochemistry 102, 1571–1580.
  9.  Behling*, L. A., Hartsel, S. C., Lewis, D. E., DiSpirito, A. A., Choi, D. W., Masterson, L. R., Veglia, G., and Gallagher, W. H. (2008) NMR, mass spectrometry and chemical evidence reveal a different chemical structure for methanobactin that contains oxazolone rings. J Am Chem Soc 130, 12604–5.


  1.  Small, B. L., Rios, R., Fernandez, E. R., and Carney, M. J. (2007) Oligomerization of Ethylene Using New Iron Catalysts Bearing Pendant Donor Modified α-Diimine Ligands. Organometallics 26, 1744–1749.
  2.  Schmiege*, B. M., Carney, M. J., Small, B. L., Gerlach*, D. L., and Halfen, J. A. (2007) Alternatives to pyridinediimine ligands: syntheses and structures of metal complexes supported by donor-modified α-diimine ligands. Dalton Trans. 2547–2562.
  3.  Sastri, C. V., Lee, J., Oh, K., Lee, Y. J., Lee, J., Jackson, T. A., Ray, K., Hirao, H., Shin, W., Halfen, J. A., Kim, J., Que, L., Shaik, S., and Nam, W. (2007) Axial ligand tuning of a nonheme iron(IV)-oxo unit for hydrogen atom abstraction. Proc. Natl. Acad. Sci. U.S.A. 104, 19181–19186.
  4.  Pillsbury*, N. R., Zwier, T. S., Judge, R. H., and Drucker, S. (2007) Jet-cooled phosphorescence excitation spectrum of the T1(n,pi*) <-- S0 transition of 2-cyclopenten-1-one. J Phys Chem A 111, 8357–8366.
  5.  Phillips, J. A., and Cramer, C. J. (2007) B-N distance potential of CH3CN-BF3 revisited: resolving the experiment-theory structure discrepancy and modeling the effects of low-dielectric environments. J Phys Chem B 111, 1408–1415.
  6.  Krogstad, D. A., Ellis, G. S., Gunderson, A. K., Hammrich, A. J., Rudolf, J. W., and Halfen, J. A. (2007) Two new water-soluble derivatives of 1,3,5-triaza-7-phosphaadamantane (PTA): Synthesis, characterization, X-ray analysis and solubility studies of 3,7-diformyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane and 1-pyridylmethyl-3,5-diaza-1-azonia-7-phosphatricyclo[]decane bromide. Polyhedron 26, 4093–4100.
  7.  Klotz*, K. L., Slominski*, L. M., Hull*, A. V., Gottsacker*, V. M., Mas-Balleste, R., Que, Jr., L., and Halfen, J. A. (2007) Non-heme iron(ii) complexes are efficient olefin aziridination catalysts. Chemical Communications 2063.
  8.  King, F. W. (2007) Operator basis for analytic signal construction. Multidim Syst Sign Process 19, 131–137.
  9.  King, F. W. (2007) Numerical evaluation of truncated Kramers-Kronig transforms. Journal of the Optical Society of America B 24, 1589.
  10.  King, F. W. (2007) Calculation of the hyperfine constants for the low-lying excited 2S states of the lithium atom. Phys. Rev. A 76, 042512.
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