Computational chemistry.
概要
| 作品: | 28 作品在 1 項出版品 1 種語言 | |
|---|---|---|
書目資訊
Grand Canonical Approach to Modeling Dynamic Catalysts : = From Thermal to Electro-Catalysis, From Clusters to Surfaces.
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Expanding the Atomistic Study of the Optical and Electronic Properties of Nanomaterials.
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An Optimization Framework for Kinetic Model Building from Concentration and Spectroscopic Data.
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Quantitative Evaluation of Simultaneous Selective Ion Clustering and Hydrogen/Deuterium Exchange.
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Integrating Machine Learning and Protein Structural Features to Predict Drug Toxicity.
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Investigations into Proton Transfer and Energy Conversion Using Machine Learning and Quantum Chemistry.
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A Machine Learning-Driven Methodology for the Design of Exchange-Correlation Functionals.
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Predictive Spectroscopic and Thermodynamic Properties of Complex Solutions and Interfaces.
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Unraveling Foldamer Secondary Structure : = A Computational Investigation of New Folding Oligomers.
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Microwaves for Intensified Chemical Manufacturing : = Applications to Biomass Processing.
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Computational Studies of Biological Systems and Nanomaterials and Their Applications.
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Deep Learning Accelerated Studies of Electrochemical Systems - Applications in the Analysis of Wire Electrodes and Cyclic Voltammetry.
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