Quantum chemical exercise linking computational chemistry to general chemistry topics
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Scott Simpson | Ashley Evanoski-Cole | Kellie Gast | Madeleine C. Wedvik | Patrick W. Schneider | Isaac Klingensmith | S. Simpson | A. Evanoski-Cole | Kellie Gast | Patrick W. Schneider | Isaac Klingensmith
[1] S. Simpson,et al. Investigating the Clough, Lutz, and Jirgensons Rule for the pH Dependence of Optical Rotation of Amino Acids , 2018, Journal of Chemical Education.
[2] James W. Mazzuca,et al. Empirically Corrected Electronic Structure Calculations Applied to the Enthalpy of Combustion Physical Chemistry Laboratory , 2019, Journal of Chemical Education.
[3] Brian J. Esselman,et al. Use of 1H, 13C, and 19F-NMR Spectroscopy and Computational Modeling To Explore Chemoselectivity in the Formation of a Grignard Reagent , 2015 .
[4] C. Bannwarth,et al. Dispersion-Corrected Mean-Field Electronic Structure Methods. , 2016, Chemical reviews.
[5] Maria A. Zdanovskaia,et al. Access to Computational Chemistry for Community Colleges via WebMO , 2018, Journal of Chemical Education.
[6] H. Schaefer,et al. Predicting molecules--more realism, please! , 2008, Angewandte Chemie.
[7] Brian J. Esselman,et al. Ligand-Free Suzuki-Miyaura Coupling Reactions Using an Inexpensive Aqueous Palladium Source: A Synthetic and Computational Exercise for the Undergraduate Organic Chemistry Laboratory , 2014 .
[8] E. Zurek,et al. Computational Modeling of the Optical Rotation of Amino Acids: An ‘in Silico’ Experiment for Physical Chemistry , 2013 .
[9] K. I. Peterson,et al. Determining the Structure of Oxalate Anion Using Infrared and Raman Spectroscopy Coupled with Gaussian Calculations , 2016 .
[10] Mark S. Gordon,et al. General atomic and molecular electronic structure system , 1993, J. Comput. Chem..
[11] M. Sonntag,et al. Vibrational Spectroscopy of Hexynes: A Combined Experimental and Computational Laboratory Experiment , 2018, Journal of Chemical Education.
[12] Jason A. Cody,et al. Laboratory Sequence in Computational Methods for Introductory Chemistry , 2003 .
[13] J. Ochterski. Using Computational Chemistry Activities To Promote Learning and Retention in a Secondary School General Chemistry Setting , 2014 .
[14] Undergraduate Chemistry Students’ Conceptualization of Models in General Chemistry , 2019, Journal of Chemical Education.
[15] S. Feller,et al. A Program of Computational Chemistry Exercises for the First-Semester General Chemistry Course , 2004 .