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6 results for computational chemistry.

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Keyword    computational chemistry

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An Undergraduate Computational Chemistry Experiment: Investigation of the E2 Elimination Reaction of 2-Bromopropane to Propene
by Monsurat M. Lawal and Tugba G Kucukkal
World Journal of Chemical Education. 2024, 12(1), 13-18. DOI: 10.12691/wjce-12-1-3
Pub. Date: February 25, 2024Views: 1930Downloads: 3711
E2 elimination reaction computational chemistry experiment undergraduate experiment organic chemistry
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Introduction of a Computational Chemistry Course-Based Undergraduate Research Experience (CURE) into an Advanced Organic Chemistry Lab: An Investigation of Propellane Formation
by Phillip J. Alexander, Dillon Button-Jennings, Claudia N. Evans, Mason B. Hemstreet, Marissa E. Henager, Stephanie Jacob, Charles S. Jolly, Maayan R. Lantzman, Alexandra Saputo, Nolan R. Stager, Elizabeth L. Whitman, Bohdi J. Young and Gary W. Breton
World Journal of Chemical Education. 2021, 9(3), 88-93. DOI: 10.12691/wjce-9-3-4
Pub. Date: November 07, 2021Views: 4375Downloads: 5741
organic chemistry computational chemistry propellanes course-based research experience CURE
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Advanced Treatment of Chemical Equilibria in the Prediction of the Time of Dissolution of Limestone in a Water Body by the Action of Acid Rain
by Vitor Paulo Andrade da Silva, Pablo Gordiano A. Barbosa, Thiago Coutinho Medeiros and Ronaldo Ferreira do Nascimento
World Journal of Chemical Education. 2018, 6(6), 230-238. DOI: 10.12691/wjce-6-6-1
Pub. Date: December 18, 2018Views: 14419Downloads: 14497
environmental chemistry computer-based learning atmospheric chemistry computational chemistry acid-base chemical equilibrium
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Teaching Thermodynamic, Geometric and Electronic Aspects of Diels-Alder Cycloadditions by Using Computational Chemistry – An Undergraduate Experiment
by Norberto K. V. Monteiro and Caio L. Firme
World Journal of Chemical Education. 2015, 3(6), 141-149. DOI: 10.12691/wjce-3-6-3
Pub. Date: December 05, 2015Views: 28301Downloads: 25385
Diels-Alder reaction diene dienophile computational chemistry G4 frontier orbital theory
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Qualitative and Quantitative Analyses of Synthesized Short-Chain Fatty Acid Phenyl Esters Using Fourier-Transform Infrared Spectroscopy
by Ronald P. D’Amelia, Masashi W. Kimura and Marie-Claire Villon
World Journal of Organic Chemistry. 2021, 9(1), 6-17. DOI: 10.12691/wjoc-9-1-2
Pub. Date: July 08, 2021Views: 8675Downloads: 12558
ab initio computational chemistry density functional theory esterification Fourier-transform infrared spectroscopy hands-on learning phenyl esters phenyl ester mixtures quantitative analysis synthetic organic chemistry undergraduate laboratory experimente
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Modeling of Ionization Energy of Elements Using Hartree-FockMethod: An Introduction to Computational Quantum Chemistry for Undergraduate Students
by Krishnamohan G P, Thomas Mathew, Simi Saju and James T. Joseph
World Journal of Chemical Education. 2017, 5(3), 112-119. DOI: 10.12691/wjce-5-3-6
Pub. Date: May 26, 2017Views: 19759Downloads: 17088
periodic properties computational chemistry Hartree-Fock ionization energy atomic structure
Abstract Full Text PDF (308 KB) Full Text HTML Full Text ePUB (570 KB)
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