Introducing Quantum Calculations into the Physical Chemistry Laboratory

作者: Thomas C. DeVore

DOI: 10.1021/BK-2019-1312.CH009

关键词:

摘要:

参考文章(36)
A. J. C. Nicholson, Measurement of Ionization Potentials by Electron Impact The Journal of Chemical Physics. ,vol. 29, pp. 1312- 1318 ,(1958) , 10.1063/1.1744714
William R. Furlong, W. Tandy Grubbs, Safe Preparation of HCl and DCl for IR Spectroscopy Journal of Chemical Education. ,vol. 82, pp. 124- 124 ,(2005) , 10.1021/ED082P124
Guillaume Jeanmairet, Nicolas Levy, Maximilien Levesque, Daniel Borgis, Introduction to Classical Density Functional Theory by a Computational Experiment Journal of Chemical Education. ,vol. 91, pp. 2112- 2115 ,(2014) , 10.1021/ED500049M
Mary E. Karpen, Julie Henderleiter, Stephanie A. Schaertel, Integrating Computational Chemistry into the Physical Chemistry Laboratory Curriculum: A Wet Lab/Dry Lab Approach. Journal of Chemical Education. ,vol. 81, pp. 475- 477 ,(2004) , 10.1021/ED081P475
Kyle A. Baseden, Jesse W. Tye, Introduction to Density Functional Theory: Calculations by Hand on the Helium Atom Journal of Chemical Education. ,vol. 91, pp. 2116- 2123 ,(2014) , 10.1021/ED5004788
Christopher N. Rowley, Tom K. Woo, Nick J. Mosey, A Computational Experiment of the Endo versus Exo Preference in a Diels–Alder Reaction Journal of Chemical Education. ,vol. 86, pp. 199- 201 ,(2009) , 10.1021/ED086P199
Fred E. Stafford, C. W. Holt, G. L. Paulson, Vibration-rotation spectrum of HCl: A physical chemistry experiment Journal of Chemical Education. ,vol. 40, pp. 245- ,(1963) , 10.1021/ED040P245
Charles J. Marzzacco, J. Clayton Baum, Computational Chemistry Studies on the Carbene Hydroxymethylene. Journal of Chemical Education. ,vol. 88, pp. 1667- 1671 ,(2011) , 10.1021/ED100866Q
Brian L. McClain, Sara M. Clark, Ryan L. Gabriel, Dor Ben-Amotz, Educational Applications of Infrared and Raman Spectroscopy: A Comparison of Experiment and Theory Journal of Chemical Education. ,vol. 77, pp. 654- 654 ,(2000) , 10.1021/ED077P654