7 results for quantum chemistry.

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Keyword    quantum chemistry

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Astrochemistry as a Gateway to Teaching and Learning Threshold Concepts in Physical Chemistry
World Journal of Chemical Education. 2019, 7(3), 209-215. DOI: 10.12691/wjce-7-3-4
Pub. Date: July 08, 2019Views: 6627Downloads: 6432
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Theoretical Study on Imidazopyridinyl-chalcones based Dimers Mechanism of Formation Using Quantum Chemistry Methods
Journal of Materials Physics and Chemistry. 2022, 10(1), 1-9. DOI: 10.12691/jmpc-10-1-1
Pub. Date: December 09, 2021Views: 2731Downloads: 3052
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Modeling of Ionization Energy of Elements Using Hartree-FockMethod: An Introduction to Computational Quantum Chemistry for Undergraduate Students
World Journal of Chemical Education. 2017, 5(3), 112-119. DOI: 10.12691/wjce-5-3-6
Pub. Date: May 26, 2017Views: 14805Downloads: 11687
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Evaluation of Antioxidant Activity of Tea Polyphenols by a Quantum Chemistry Calculation Method - PM6
Journal of Food and Nutrition Research. 2014, 2(12), 965-972. DOI: 10.12691/jfnr-2-12-17
Pub. Date: November 28, 2014Views: 24466Downloads: 20654Citations: 2
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Predictive Modeling of the Anti-Paludial Activity of a Series of Dihydrothiophenone Molecules at the Hartree-Fock (HF) / 6-31G (d, p) Level
Journal of Materials Physics and Chemistry. 2021, 9(2), 56-62. DOI: 10.12691/jmpc-9-2-3
Pub. Date: September 28, 2021Views: 713Downloads: 1245
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QSAR Study of a Serie of Benzimidazolylchalcone Derivatives by the Density Fonctional Theory (DFT) Method
Journal of Materials Physics and Chemistry. 2021, 9(1), 9-15. DOI: 10.12691/jmpc-9-1-2
Pub. Date: April 24, 2021Views: 1102Downloads: 1895
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DFT-Calculations of Thermodynamic Parameters of ZnTe, ZnSe, ZnS Crystals
Physics and Materials Chemistry. 2014, 2(1), 14-19. DOI: 10.12691/pmc-2-1-3
Pub. Date: February 23, 2014Views: 24641Downloads: 17940
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