
Molecular Simulation
Publisher: Wikibooks 2016
Number of pages: 169
Description:
This is a book on computer simulation of matter. In particular, it focuses on condensed matter (e.g., liquids). The book is built on the framework of statistical thermodynamics. It is intended to serve as the textbook for an advanced undergraduate / graduate physical chemistry course in molecular simulation.
Download or read it online for free here:
Read online
(online html)
Similar books
Introductory Physical Chemistryby David Ronis - McGill University
Topics: Probability and Statistics; The Maxwell-Boltzmann Distribution; Collision Rates, Diffusion and Viscosity; Collision Theory of the Rate Constant; First Law of Thermodynamics; Thermochemistry; Ideal Gas Carnot Engines and Efficiency; etc.
(14298 views)
Thermodynamic Extension of Density-functional Theoryby Robert Balawender, Andrzej Holas - arXiv
Topics: Basic Massieu function, its Legendre and Massieu-Planck transforms for equilibrium state in terms of density matrix; Finite-temperature ensemble spin-density functional theory; Zero-temperature limit of the ensemble spin-density theory.
(11774 views)
A Brief Review of Elementary Quantum Chemistryby C. David Sherrill - Georgia Institute of Technology
The ebook covers the motivation for quantum mechanics, Schrödinger equation, postulates of quantum mechanics, some analytically soluble problems, approximate methods, molecular quantum mechanics, solving the electronic eigenvalue problem.
(21036 views)
Advanced Chemical Kineticsby Muhammad Akhyar Farrukh (ed.) - InTech
The book on Advanced Chemical Kinetics gives insight into different aspects of chemical reactions both at the bulk and nanoscale level. Sections: Kinetics Modeling and Mechanism, Kinetics of Nanomaterials, Kinetics Techniques.
(9228 views)