Search Results - "dft"

Density Functional Calculations Recent Progresses of Theory and Application

Subjects: “…density functional theory, conceptual dft, dft calculations, nanoparticles, spectroscopy, molecular modeling…”
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Symmetry (Group Theory) and Mathematical Treatment in Chemistry

Subjects: “…dft, spectroscopy, molecular docking, thermodynamics, ciprofloxacin…”
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Introduction to Corrosion Basics and Advances

Subjects: “…dft…”
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Study of Grain Boundary Character

Subjects: “…microstructure, mechanical properties, dft, copper, oxidation, fatigue…”
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Advanced Chemical Kinetics

Subjects: “…adsorption, nanomaterials, ultrasound, dft, photocatalysis, mathematical modeling…”
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Bioinspired Catechol- Based Systems: Chemistry and Applications by Daniel Ruiz-Molina (Ed.)

Subjects: “…DFT calculations…”
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Electrocatalysts for Fuel Cells and Hydrogen Evolution Theory to Design

Subjects: “…oxygen reduction reaction, corrosion, dft, electrodeposition, carbon, electrocatalysis…”
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Graphene A Wonder Material for Scientists and Engineers

Subjects: “…dft…”
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Advanced Engineering Testing

Subjects: “…vibration, adsorption, additive manufacturing, 3d printing, dft, fracture…”
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Chapter New Insights and Horizons from the Linear Response Function in Conceptual DFT by Stuyver, Thijs

Subjects: “…conceptual DFT, linear response function, nearsightedness of electronic matter, alchemical derivatives, molecular conductivity…”
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Chapter New Insights and Horizons from the Linear Response Function in Conceptual DFT by Stuyver, Thijs

Subjects: “…conceptual DFT, linear response function, nearsightedness of electronic matter, alchemical derivatives, molecular conductivity…”
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Density Functional Theory

Subjects: “…dft, catalysis, electrochemistry, semiconductor, electrocatalysis, oxides…”
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Challenges in Computational Enzymology

Subjects: “…DFT…”
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New Research on Silicon Structure, Properties, Technology

Subjects: “…graphene, thin films, dft, membrane, mems, raman spectroscopy…”
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Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors by Sebbar, Nadia

Subjects: “…DFT…”
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Crystal Structures of Metal Complexes

Subjects: “…TD-DFT…”
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Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday

Subjects: “…DFT…”
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Advances and Challenges in Organic Electronics

Subjects: “…DFT…”
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Multicomponent Pharmaceutical Solids

Subjects: “…DFT…”
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Chiral Auxiliaries and Chirogenesis II

Subjects: “…DFT…”
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