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Preparing Tutorial Environments
This chapter provides the procedure to build the tutorial environment on his/her own. We construct the environment to run the density functional...
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Tutorial for thermal analysis of ionic liquids
This tutorial aims to show the basic steps of evaluating the thermoanalytical curves to obtain reliable data for comparison with literature data for...
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Comparing classification models—a practical tutorial
While machine learning models have become a mainstay in Cheminformatics, the field has yet to agree on standards for model evaluation and comparison....
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Tutorial review on the processing and performance of fabrics with antipathogenic inorganic agents
Functionalized textiles have been increasingly used for enhancing antimicrobial or antiviral (antipathogenic) action. Those pathogens can cause...
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Chemoinformatics-based enumeration of chemical libraries: a tutorial
Virtual compound libraries are increasingly being used in computer-assisted drug discovery applications and have led to numerous successful cases....
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Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial
This paper is a tutorial developed for the data analysis platform Galaxy. The purpose of Galaxy is to make high-throughput computational data...
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Molecular docking in organic, inorganic, and hybrid systems: a tutorial review
Molecular docking simulation is a very popular and well-established computational approach and has been extensively used to understand molecular...
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Electric Field Controllable Magnetic Spin Communication in Partially Localized Mixed-Valence Molecules: A Tutorial Review
AbstractThis article is a short overview of the problem of controllable magnetic spin communication as an important ingredient of spintronics and...
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Ab initio Calculation Tutorial For Materials Analysis, Informatics and Design
This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of...
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Appendix B: Supplementals to the Tutorial
To keep the tutorials in the main text minimum as possible, the rest of the tutorials are placed in this appendix as supplementary information....
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Internal donors on supported Ziegler Natta catalysts for isotactic polypropylene: a brief tutorial review
The scientific and technical advances in the field of polymer science has been abundant in recent years. Amongst the various polymeric materials...
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Molecular Simulations in Macromolecular Science
Molecular simulations are now an essential part of modern chemistry and physics, especially for the investigation of macromolecules. They have...
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Linkage Analysis of Oligosaccharides and Polysaccharides: A Tutorial
Polysaccharides and oligosaccharides are a diverse group of natural polymers with important biological functions. The diversity of carbohydrate...
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A tutorial on electrochemical impedance spectroscopy
AbstractElectrochemical impedance spectroscopy is presented as a transfer function technique that is applied to electrochemical systems. Examples are...
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Visualizing chemical space networks with RDKit and NetworkX
This article demonstrates how to create Chemical Space Networks (CSNs) using a Python RDKit and NetworkX workflow. CSNs are a type of network...
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From a glimpse into the key aspects of calibration and correlation to their practical considerations in chemical analysis
In this tutorial review, we provide a guiding reference on the good practice in building calibration and correlation experiments, and we explain how...
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Miniemulsion Polymerization
The subject of miniemulsion polymerization is reviewed. The approach taken is one that combines a review of the technology with historical and...
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Dynamics of the catalyst deactivation: tutorial experience with formalism of thermodynamics of non-equilibrium processes
The catalytic process, during which the catalyst loses activity, is usually difficult for investigation and industrial application, especially when...
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Measurement model for analysis of electrochemical impedance data
A tutorial is presented for the recently published measurement model program, made available under the open-source license GNU GPL Version 3, which...
