11 results for DFT.

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Keyword    DFT

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Mel-Frequency Cepstral Coefficient (MFCC) - a Novel Method for Speaker Recognition
Digital Technologies. 2015, 1(1), 1-3. DOI: 10.12691/dt-1-1-1
Pub. Date: August 19, 2014Views: 15688Downloads: 9921
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Cycloreversion of 4H-1,3-Thiazines and Selenazines Analogous: Theoretical Study by The Density Functional Theory (DFT) Method
Journal of Materials Physics and Chemistry. 2018, 6(1), 23-28. DOI: 10.12691/jmpc-6-1-4
Pub. Date: June 11, 2018Views: 330Downloads: 250
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PlasmodiumResistance to Antimalarial Drugs: Functional Theory of Density (DFT) Study of the Stability and Reactivity of Heme-Artemisinin Adducts
Journal of Materials Physics and Chemistry. 2018, 6(1), 17-22. DOI: 10.12691/jmpc-6-1-3
Pub. Date: May 10, 2018Views: 1868Downloads: 622
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Study of Target Recognition of MAA-based Molecularly Imprinted Polymer (MIP) Using Density Functional Theory (DFT) Computation on the Interaction of Methacrylic Acid (MAA)-D-Glucose
Journal of Polymer and Biopolymer Physics Chemistry. 2017, 5(1), 10-12. DOI: 10.12691/jpbpc-5-1-2
Pub. Date: September 29, 2017Views: 2764Downloads: 2050
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Synthesis, X­Ray Crystallography and DFT Studies of Ni(II) Complex with Tetradentate
Physics and Materials Chemistry. 2015, 3(1), 7-11. DOI: 10.12691/pmc-3-1-2
Pub. Date: July 22, 2015Views: 9762Downloads: 8691
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The Effect of Thermal Treatment on Porous Structure of Carbon Materials
Nanoscience and Nanotechnology Research. 2013, 1(2), 23-26. DOI: 10.12691/nnr-1-2-3
Pub. Date: December 11, 2013Views: 20133Downloads: 16005Citations: 1
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Effect of Interface Morphology on Charge Transport
International Journal of Physics. 2015, 3(4), 170-174. DOI: 10.12691/ijp-3-4-6
Pub. Date: July 27, 2015Views: 4993Downloads: 4107
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Determination of Characteristic Frequency for identification of Hot spots in Proteins using Computational Simulations: a Review
American Journal of Computing Research Repository. 2014, 2(2), 38-43. DOI: 10.12691/ajcrr-2-2-3
Pub. Date: July 27, 2014Views: 15810Downloads: 11879
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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: 15722Downloads: 10187
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Ceramic Expansion by Water Layers on Magnesium Oxide: AB InitioStudy
American Journal of Materials Science and Engineering. 2013, 1(3), 50-53. DOI: 10.12691/ajmse-1-3-4
Pub. Date: September 23, 2013Views: 11260Downloads: 6813
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