Selection of recent educational journal articles utilizing/referencing Wavefunction software:

Amber J. Dood* and Field M. Watts. Students’ Strategies, Struggles, and Successes with Mechanism
Problem Solving in Organic Chemistry: A Scoping Review of the Research Literature. J. Chem. Educ. 2023,
100, 1, 53–68. https://pubs.acs.org/doi/full/10.1021/acs.jchemed.2c00572
Thomas. D. Varberg*. Raman Spectroscopy, Group Theory, and Computational Chemistry: A PhysicalChemistry Laboratory Experiment on para-Difluorobenzene. J. Chem. Educ. 2022 99,5, 2129-2134.
https://pubs.acs.org/doi/abs/10.1021/acs.jchemed.2c00095
Shanina Sanders Johnson*, Leyte Winfield, and Shannon H. Sung, Integrating iSpartan into a Classic
Organic Chemistry Laboratory Experiment. J. Chem. Educ. 2021, 98, 3, 982-985.
https://pubs.acs.org/doi/10.1021/acs.jchemed.0c01134
Brian Jacobus Jozefus Timmer and Tiddo Jonathan Mooibroek*, Intermolecular π- π Stacking Interactions
Made Visible. J. Chem. Educ. 2021, 98, 2, 540-545.
https://pubs.acs.org/doi/10.1021/acs.jchemed.0c01252
William J. Howitz, Taylor A. Thane, Taylor L. Frey, Xinran S. Wang, Joe C. Gonzales,
Chase A. Tretbar, Daniel D. Seith, Shannon J. Saluga, Simon Lam, Melanie M. Nguyen, Peter Tieu,Renee D. Link, and Kimberly D. Edwards*, Online in No Time: Design and Implementation of a Remote
Learning First Quarter General Chemistry Laboratory and Second Quarter Organic Chemistry Laboratory. J.
Chem. Educ. 2020, 97, 9, 2624-2634. https://pubs.acs.org/doi/10.1021/acs.jchemed.0c00895
Corbin Gruber, Alec James, Jeremy T. Berchtold, Zoe J. Wood, Gregory E. Scott, and Zahra Alghoul*,Interactive Unit Cell Visualization Tool for Crystal Lattice Structures. . J. Chem. Educ. 2020, 97, 7, 20202024. https://pubs.acs.org/doi/10.1021/acs.jchemed.9b01207
Anna G. Wenzel*, Steven Casper, Cooper J. Galvin, and Grace E. Beck, Science and Business of Medicinal
Chemistry: A “Bench-to-Bedside” Course for Nonmajors. J. Chem. Educ. 2020, 97, 2, 414-420.
https://pubs.acs.org/doi/10.1021/acs.jchemed.9b00691
Nguyen Nhat Thu Le, Edmund J. Klinkerch, and Dasan M. Thamattoor*, Stereochemistry ofDichlorocarbene Addition to Alkenes: A Collaborative, Discovery-Based Experiment for the Organic
Chemistry Laboratory. J. Chem. Educ. 2019, 96, 8, 1727-1730.
https://pubs.acs.org/doi/10.1021/acs.jchemed.8b00758
Adam G. L. Schafer, Ellen J. Yezierski, and C. Scott Hartley*, Understanding Thermodynamic Control in
Covalent Self-Assembly: A Mixed Synthetic–Computational Experiment for the Undergraduate OrganicChemistry Laboratory. J. Chem. Educ. 2019, 96, 6, 1230-1235.
https://pubs.acs.org/doi/10.1021/acs.jchemed.8b01046
Anna S. Grumman and Felix A. Carroll*, 3D-Printing Electron Density Isosurface Models and HighResolution Molecular Models Based on van der Waals Radii. J. Chem. Educ. 2019, 96, 6, 1157-1164.
https://pubs.acs.org/doi/10.1021/acs.jchemed.8b00597

James W. Mazzuca*, Alexis R. Downing, and Christopher Potter, Empirically Corrected Electronic Structure
Calculations Applied to the Enthalpy of Combustion Physical Chemistry Laboratory. J. Chem. Educ. 2019,96, 6, 1165-1170. https://pubs.acs.org/doi/10.1021/acs.jchemed.9b00019
Amy M. Balija* and Layne A. Morsh, Inquiry-Based IR-Spectroscopy Activity Using iSpartan or Spartan for
Introductory-Organic-Chemistry Students. J. Chem. Educ. 2019, 96, 5, 970-973.
https://pubs.acs.org/doi/10.1021/acs.jchemed.8b00456
Leyte L. Winfield*, Kai McCormack, and Tina Shaw, Using iSpartan To Support a Student-Centered Activity
on Alkane Conformations. J. Chem. Educ. 2019, 96(1), 89-92.
https://pubs.acs.org/doi/10.1021/acs.jchemed.8b00145
Daniel R. Jones, Dana J. DiScenza, Teresa L. Mako, and Mindy Levine*, Environmental Application of
Cyclodextrin Metal−OrganicFrameworks in an Undergraduate Teaching Laboratory. J. Chem. Educ. 2018,95(9), 1636-1641. https://pubs.acs.org/doi/10.1021/acs.jchemed.8b00357
Meredith H. Barbee, Robert G. Carden, Julia H. R. Johnson, Cameron L. Brown, Dorian A. Canelas*, andStephen L. Craig*, A Single Reaction Thread Ties Multiple Core Concepts in an Introductory Chemistry
Course. J. Chem. Educ. 2018, 95(6), 939-946. https://pubs.acs.org/doi/10.1021/acs.jchemed.7b00977
Andrew D. Geragotelis and Kimberly Edwards*. Integrating Computational Chemistry in the General
Chemistry Laboratory: Combining Laboratory Experiments with Computational Modeling. Chem. Educator
2018, 23, 52-57. http://chemeducator.org/bibs/0023001/23180052.html
Yana Kholod, Erin Hoag, Katlynn Muratore, and Dmytro Kosenkov*, Computer-Aided Drug Discovery:
Molecular Docking of Diminazene Ligands to DNA Minor Groove. J. Chem. Educ. 2018, 95(5), 882-887.
https://pubs.acs.org/doi/10.1021/acs.jchemed.7b00989
Chris P. Schaller*, Kate J. Graham, Edward J. McIntee, Alicia A. Peterson, Christen M. Strollo, Henry V.
Jakubowski, M. A. Fazal, Brian J. Johnson, T. Nicholas Jones, and Annette M. Raigoza, LaboratoryCurriculum for a Structure, Reactivity, and Quantitation Sequence in Chemistry. J. Chem. Educ. 2018, 95(5),741-748. https://pubs.acs.org/doi/10.1021/acs.jchemed.7b00764
Katherine T. Best, Dianna Li, and Eric D. Helms*, Molecular Modeling of an Electrophilic Addition Reaction
with “Unexpected” Regiochemistry. J. Chem. Educ. 2017, 94(7), 936-940.
https://pubs.acs.org/doi/10.1021/acs.jchemed.6b00488
Michael M. Fuson*, Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and MolecularDynamics Simulation: An Undergraduate Physical Chemistry Laboratory. J. Chem. Educ. 2017, 94(4), 521525. http://pubs.acs.org/doi/abs/10.1021/acs.jchemed.6b00699
Bhawani Venkataraman*, Emphasizing the Significance of Electrostatic Interactions in Chemical Bonding. J.
Chem. Educ. 2017, 94 (3), 296-303. http://pubs.acs.org/doi/abs/10.1021/acs.jchemed.6b00409

Dana Christensen and Pamela G. Cohn*, Minding the Gap: Strategies for Tuning the Energy Gap inConjugated Molecules. J. Chem. Educ. 2016, 93(10), 1794-1797.
http://pubs.acs.org/doi/abs/10.1021/acs.jchemed.5b00916
Craig D. Montgomery, Fischer and Schrock Carbene Complexes: A Molecular Modeling Exercise. J. Chem.
Educ. 2015, 92 (10), 1653-1640. http://pubs.acs.org/doi/abs/10.1021/acs.jchemed.5b00036
Carrie S. Miller* and Mark Ellison, Walsh Diagrams: Molecular Orbital and Structure ComputationalChemistry Exercise for Physical Chemistry. J. Chem. Educ. 2015, 92(6), 1040-1043.
http://pubs.acs.org/doi/abs/10.1021/ed500813d
Dora Barbiric, Lorena Tribe*, and Rosario Soriano, Computational Chemistry Laboratory: Calculating theEnergy Content of Food Applied to a Real-Life Problem. J. Chem. Educ. 2015, 92(5), pp 881–885.
http://pubs.acs.org/doi/abs/10.1021/ed2008894
Andrew V DeLong, Jared C Harris, Brittany S Larcart, Chandler B Massey, Chelsie D Northcutt, Somuayiro N
Nwokike, Oscar A Otieno, Harsh M Patel, Mehulkumar P Patel, Eugene I Rowell, Brandon M Rush, MarcEdwin G Saint-Louis, Amy M Vardeman, Felicia N Woods, Pratik Pravin Patel, Giso Abadi, and Thomas J.
Manning*, Guided Inquiry Learning to Teach Undergraduates Computational Aspects of Antibiotics. Chem.
Educator. 2014, 19, 367–368. http://chemeducator.org/bibs/0019001/19140367.html
Andrew G. Karatjas*, Use of iSpartan in Teaching Organic Spectroscopy. J. Chem. Educ. 2014, 91(6), 937–938. http://pubs.acs.org/doi/abs/10.1021/ed4006858
Kelsey Costello, Kevin Thinh Doan, Kari Lynn Organtini, John Wilson, Morgan Boyer, Greglynn Gibbs, andLorena Tribe*, Exploration of Thermochromic Materials Using Experimental and Theoretical Infrared andUV–Visible Spectroscopy. J. Chem. Educ. 2014, 91(6), 883–888.
http://pubs.acs.org/doi/abs/10.1021/ed400578qCraig D. Montgomery*, A Mechanistic Study of the Migratory Insertion Reaction: A Computational
Chemistry Exercise. J. Chem. Educ. 2013, 90(10), 1396–1400.
http://pubs.acs.org/doi/abs/10.1021/ed300526k
Clifford M. Csizmar, Jeremy P. Daniels, Lauren E. Davis, Tyler P. Hoovis, Karen A. Hammond,Owen M. McDougal, and Don L. Warner*, Modeling SN2 and E2 Reaction Pathways and Other
Computational Exercises in the Undergraduate Organic Chemistry Laboratory. J. Chem. Educ. 2013, 90(9),1235-1238. http://pubs.acs.org/doi/abs/10.1021/ed2008735
Craig D. Montgomery*, Factors Affecting Energy Barriers for Pyramidal Inversion in Amines andPhosphines: A Computational Chemistry Lab Exercise. J. Chem. Educ. 2013, 90(5), 661–664.
http://pubs.acs.org/doi/abs/10.1021/ed300527t
T. Nicholas Jones*, Kate J. Graham, and Chris P. Schaller, A Jigsaw Classroom Activity for Learning IR
Analysis in Organic Chemistry. J. Chem. Educ. 2012, 89(10), 1293–1294.
http://pubs.acs.org/doi/abs/10.1021/ed200334n

Bruce D. Anderson*, Cyclic Polyynes as Examples of the Quantum Mechanical Particle on a Ring.
J. Chem. Educ. 2012, 89(6), 724–727. http://pubs.acs.org/doi/abs/10.1021/ed200439u
Clifford M. Csizmar, Dee Ann Force, and Don L. Warner*, Examination of Bond Properties through Infrared
Spectroscopy and Molecular Modeling in the General Chemistry Laboratory. J. Chem. Educ. 2012. 89(3),379–382. http://pubs.acs.org/doi/abs/10.1021/ed200100n
Charles J. Marzzacco and J. Clayton Baum*, Computational Chemistry Studies on the Carbene
Hydroxymethylene. J. Chem. Educ. 2011, 88(12), 1667–1671.
http://pubs.acs.org/doi/abs/10.1021/ed100866q
Hyosub Kim, Segun Sulaimon, Sandra Menezes, Anne Son, and Warren J. C. Menezes*, A Comparative
Study of Successful Central Nervous System Drugs Using Molecular Modeling. J. Chem. Educ. 2011, 88(10),1389–1393. http://pubs.acs.org/doi/abs/10.1021/ed100824u
Kimberly J. Linenberger, Renée S. Cole, and Somnath Sarkar*, Looking Beyond Lewis Structures: A General
Chemistry Molecular Modeling Experiment Focusing on Physical Properties and Geometry. J. Chem. Educ.
2011, 88(7), 962–965. http://pubs.acs.org/doi/abs/10.1021/ed100727rLewis E. Johnson and Thomas Engel*, Integrating Computational Chemistry into the Physical ChemistryCurriculum. J. Chem. Educ. 2011, 88(5), 569–573. http://pubs.acs.org/doi/abs/10.1021/ed900064n
Bhawani Venkataraman. Visualization and interactivity in the teaching of chemistry to science and nonscience students. Chem. Educ. Res. Pract. 2009, 10, 62-69.
http://pubs.rsc.org/en/Content/ArticleLanding/2009/RP/b901462b#!divAbstract
Phillip R. Burkholder, Gordon H. Purser*, and Renee S. Cole, Using Molecular Dynamics Simulation To
Reinforce Student Understanding of Intermolecular Forces. J. Chem. Educ. 2008, 85(8), 1071-1077.
http://pubs.acs.org/doi/abs/10.1021/ed085p1071
J. Schnitker "Molecular-Level Simulations as a Chemistry Teaching Tool." In: M.D. Ellison and T.A.
Schoolcraft (Eds.), Advances in Teaching Physical Chemistry. Washington, D.C.: American Chemical Society,207 (2008). http://pubs.acs.org/isbn/9780841239982

Last Update May 2022
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