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Direct linkEsselman, Brian J.; Hofstetter, Heike; Ellison, Aubrey J.; Fry, Charles G.; Hill, Nicholas J. – Journal of Chemical Education, 2020
A set of inexpensive and pedagogically rich experiments focusing on S[subscript N]1, E1, and E2 reactions have been updated to include modern computational and spectroscopic analyses. The S[subscript N]1 experiment involves treatment of "tert"-amyl alcohol with hydrochloric acid to generate the corresponding alkyl chloride, which is used…
Descriptors: Science Instruction, Chemistry, Spectroscopy, Science Experiments
Nicastri, Kate A.; Hill, Nicholas J. – Journal of Chemical Education, 2021
A laboratory project to introduce upper-level undergraduates to Pd-catalyzed C-N [sigma]-bond forming reactions is described. The exercise involves evaluation of monodentate phosphine ligands and solvents for the Buchwald-Hartwig coupling of 4-chloro-or 4-bromo-anisole with morpholine. Students gain experience in the synthesis of a biarylphosphine…
Descriptors: Science Instruction, Science Laboratories, College Science, Undergraduate Students
Perri, M. J.; Weber, S. H. – Journal of Chemical Education, 2014
A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.
Descriptors: Chemistry, Courseware, Web Sites, Molecular Structure
Eleni K. Geragosian; Diana Zhu; Marc Skriloff; Ginger V. Shultz – Chemistry Education Research and Practice, 2024
Chemistry graduate teaching assistants (GTAs) have substantial facetime with undergraduate students at large research institutions where they lead discussion and lab sessions. Emerging research describes GTAs' content and teaching knowledge for introductory chemistry classes, but we need to know more about how GTAs manage their classes in the…
Descriptors: Teaching Assistants, Chemistry, Graduate Students, Undergraduate Students
Shields, George C. – Scholarship and Practice of Undergraduate Research, 2019
The author discusses the history of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY), which has made significant contributions benefiting science faculty and undergraduates. The peer review publication rate of 1.7 for MERCURY faculty is 3.4 times the average rate for physical science faculty at…
Descriptors: Undergraduate Students, Student Research, Inclusion, Chemistry
Khan, Anika Tajrian; Chowdhury, Golam Mahmud; Hafsah, Juwairiyah; Maruf, Md; Raihan, Md Riyad Hossen; Chowdhury, Md Talha; Nawal, Nafisa; Tasnim, Nishat; Saha, Pranto; Roy, Prottoy; Tabassum, Raya; Rodrigues, Souvick Patrick; Hasan, Walid; Samanta, Zarin Tasnim; Kamal, Suprio; Nazir, Md Shahoriar; Ali, Md Ackas; Halim, Mohammad A. – Biochemistry and Molecular Biology Education, 2022
The main protease of SARS-CoV-2 is a promising drug target due to its functional role as a catalytic dyad in mediating proteolysis during the viral life cycle. In this study, experimentally proven 14 HIV protease peptides were screened against the main protease of SARS-CoV-2. Fourteen middle and high school "student researchers" were…
Descriptors: COVID-19, Acquired Immunodeficiency Syndrome (AIDS), Middle School Students, High School Students
Sutton, Sarah C.; Cleland, Walter E.; Hammer, Nathan I. – Journal of Chemical Education, 2017
This advanced undergraduate chemistry laboratory exercise takes advantage of the unique spectroscopic properties of the free radical chlorine dioxide to allow for a direct comparison of its symmetric stretch in both the ground and excited states. It incorporates several subject areas covered in an undergraduate chemistry degree (synthesis,…
Descriptors: Chemistry, College Science, Undergraduate Study, Science Laboratories
Le, Nguyen Nhat Thu; Klinkerch, Edmund J.; Thamattoor, Dasan M. – Journal of Chemical Education, 2019
A multifaceted experiment, accessible to students either in an introductory organic chemistry course or in a more advanced laboratory setting, is described for investigating the addition of dichlorocarbene to E- and Z-[beta]-methylstyrenes. The innovative exercise, which integrates elements of synthesis, mechanisms, instrumental analysis,…
Descriptors: Science Instruction, College Science, Undergraduate Study, Science Laboratories
Ziegler, Blake E. – Journal of Chemical Education, 2013
Computational chemistry undergraduate laboratory courses are now part of the chemistry curriculum at many universities. However, there remains a lack of computational chemistry exercises available to instructors. This exercise is presented for students to develop skills using computational chemistry software while supplementing their knowledge of…
Descriptors: Science Laboratories, College Science, Chemistry, Undergraduate Students
Kholod, Yana; Hoag, Erin; Muratore, Katlynn; Kosenkov, Dmytro – Journal of Chemical Education, 2018
The reported project-based laboratory unit introduces upper-division undergraduate students to the basics of computer-aided drug discovery as a part of a computational chemistry laboratory course. The students learn to perform model binding of organic molecules (ligands) to the DNA minor groove with computer-aided drug discovery (CADD) tools. The…
Descriptors: Science Laboratories, College Science, Undergraduate Study, Chemistry
Zdanovskaia, Maria A.; Schwarz, Cara E.; Habib, Asif D.; Hill, Nicholas J.; Esselman, Brian J. – Journal of Chemical Education, 2018
The use of computational molecular modeling to enhance the teaching of chemical concepts is becoming commonplace. Incorporation of this technique into the curriculum, however, typically requires financial investment. This reality poses a problem for institutions where funding and associated resources are scarce and has a potential negative impact…
Descriptors: Science Instruction, Molecular Structure, Teaching Methods, Community Colleges
Adams, William; Sonntag, Matthew D. – Journal of Chemical Education, 2022
Electrophilic aromatic substitution (EAS) represents an important class of reactions taught in the undergraduate organic chemistry curriculum. The EAS reaction of benzene and its substituted derivatives is generally described as proceeding through a carbocation (arenium cation) intermediate, and the regiochemistry of the product is heavily…
Descriptors: Undergraduate Students, Science Activities, Computation, Prediction
VSEPR-Plus: Correct Molecular and Electronic Structures Can Lead to Better Student Conceptual Models
Esselman, Brian J.; Block, Stephen B. – Journal of Chemical Education, 2019
The VSEPR model has well-established limitations in its ability to represent accurate molecular and electronic geometries of simple molecules, which can create a significant need for students to relearn structure and bonding concepts in organic chemistry. We present an alternate method for describing molecular geometries and electronic structures…
Descriptors: Science Instruction, College Science, Undergraduate Study, Scientific Concepts
Kinnaman, Laura J.; Roller, Rachel M.; Miller, Carrie S. – Journal of Chemical Education, 2018
A computational chemistry exercise for the undergraduate physical chemistry laboratory is described. In this exercise, students use the molecular dynamics package Amber to generate trajectories of bulk liquid water for 4 different water models (TIP3P, OPC, SPC/E, and TIP4Pew). Students then process the trajectory to calculate structural (radial…
Descriptors: Chemistry, Science Instruction, College Science, Undergraduate Study
Thrall, Elizabeth S.; Lee, Seung Eun; Schrier, Joshua; Zhao, Yijun – Journal of Chemical Education, 2021
Techniques from the branch of artificial intelligence known as machine learning (ML) have been applied to a wide range of problems in chemistry. Nonetheless, there are very few examples of pedagogical activities to introduce ML to chemistry students in the chemistry education literature. Here we report a computational activity that introduces…
Descriptors: Undergraduate Students, Artificial Intelligence, Man Machine Systems, Science Education
