Related Experiment Video

Updated: Mar 29, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

1.9K

Information-Theoretic Perspectives on Chemical Problems: Recent Developments and Applications

Arpita Poddar1, Pratim Kumar Chattaraj2

  • 1Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302, India.

Entropy (Basel, Switzerland)
|March 28, 2026
PubMed

Keywords:
conceptual DFTdensity functional theorydescriptorsinformation-theoretic approach

More Related Videos

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

3.2K
Quantifying the Binding Interactions Between CuII and Peptide Residues in the Presence and Absence of Chromophores11:38

Quantifying the Binding Interactions Between CuII and Peptide Residues in the Presence and Absence of Chromophores

Published on: April 5, 2022

3.1K

Related Concept Videos

What is Physical Chemistry?01:23

What is Physical Chemistry?

Physical chemistry is a branch of chemistry that studies the principles from physics underlying chemical reactions. It provides deep insights into the behaviors of molecules, the forces they experience, and their interactions and chemical reactions.The term "physical chemistry" was introduced by Mikhail Lomonosov in 1752. Since then, it has seen significant contributions from notable scientists such as Josiah Willard Gibbs, Wilhelm Ostwald, Jacobus Henricus van't Hoff, and Linus Pauling.Key...
556
Chemical Equilibria: Systematic Approach to Equilibrium Calculations01:21

Chemical Equilibria: Systematic Approach to Equilibrium Calculations

Equilibrium calculations for systems involving multiple equilibria are often complex. For example, to calculate the solubility of a sparingly soluble salt in an aqueous solution in the presence of a common ion, one must consider all the equilibria in this solution. Calculations for these systems can be complicated and tedious, so a systematic approach with a series of steps is often helpful. The process is detailed below.
The first step is to identify all the chemical reactions involved, The...
1.9K
Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
45.5K
Inductive Effects on Chemical Shift: Overview01:27

Inductive Effects on Chemical Shift: Overview

The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at approximately 1.7, 1.2 and 0.7 ppm, while the proton signal from methane appears at 0.23 ppm. An electronegative substituent, such as chlorine, withdraws the electron density from the protons, increasing their chemical shift. Progressive substitution of the hydrogens in methane by chlorine shifts the proton signals increasingly downfield, to 3.05 ppm in...
2.5K
Temperature Dependence on Reaction Rate02:55

Temperature Dependence on Reaction Rate

The Collision Theory
Atoms, molecules, or ions must collide before they can react with each other. Atoms must be close together to form chemical bonds. This premise is the basis for a theory that explains many observations regarding chemical kinetics, including factors affecting reaction rates.
The collision theory is based on the postulates that (i) the reaction rate is proportional to the rate of reactant collisions, (ii) the reacting species collide in an orientation allowing contact between...
91.0K
Predicting Reaction Outcomes02:24

Predicting Reaction Outcomes

Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...
11.6K