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Molecular Chemistry Books

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Molecular Chemistry Books

This section contains free e-books and guides on Molecular Chemistry, some of the resources in this section can be viewed online and some of them can be downloaded.

Molecular Interactions

Recent evolutions in nanosciences and nanotechnologies provide strong arguments to support the opportunity and importance of the topics approached in this book, the fundamental and applicative aspects related to molecular interactions being of large interest in both research and innovative environments. We expect this book to have a strong impact at various education and research training levels, for young and experienced researchers from both academia and industry.

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s NAPages

Introduction To The Physics of Atoms, Molecules and Photons

These lecture notes have been prepared to give an introduction into the foundations of atomic and molecular physics with an emphasis on the interaction of these atomic systems with light, and in more general, with electromagnetic fields. Topics covered includes: Wave-corpuscular duality of photons and massive particles, Angular momentum in quantum mechanics, Atomic spectra, simple models of atoms, Spin and the fine structure, Many-body problems, systems of identical particles, Molecular structure and spectra, Bose Einstein Condensation, Elements of coherent atom field interactions, Atoms in Strong Fields, Photons, A quantum paradox and the experiments.

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s 142Pages

Chemistry Atoms First

This note explains the following topics: Atoms, Molecules, and Ions, Electronic Structure and Periodic Properties of Elements, Chemical Bonding and Molecular Geometry, Advanced Theories of Bonding, Composition of Substances and Solutions, Stoichiometry of Chemical Reactions, Gases, Thermochemistry, Liquids and Solids, solutions and Colloids, Thermodynamics, Fundamental Equilibrium Concepts, Acid-Base Equilibria, Equilibria of Other Reaction Classes, Electrochemistry, Kinetics, Representative Metals, Metalloids, and Nonmetals, Transition Metals and Coordination Chemistry, Nuclear Chemistry.

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Molecular Electronic Structure

This note is intended for graduate students who specialize in computational or theoretical quantum chemistry. Its goal is to have students acquire skills essential for developing new computational methodologies broadly applicable to atomic, molecular, solid-state chemistry.

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s NAPages

Atomic Level Simulations of Materials and Molecules

This lecture note covers the basics of the quantum mechanics, force fields, molecular dynamics, Monte Carlo, statistical mechanics, etc. required to understand the theoretical basis for the simulations while the homework applies these principles to practical problems.

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Molecular Spectra and Molecular Structure

The goal of this note is to illustrate how molecular structure is extracted from a spectrum. Topics covered includes: Atoms, Diatomic Molecules , All Tricks In Molecular Structure Theory, Born-oppenheimer, Transition Intensities For Diatomics, Electronic Structure Models, Polyatomic Molecules.

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Molecular Modeling Lecture Notes

This lecture note explores a wide range of techniques and applications in molecular modeling and computational chemistry. Topics covered includes: ab Initio and Semi-Empirical Quantum Mechanics, Molecular Mechanics and Dynamics Simulation, Electrostatics, Coarse Graining Biomolecular Structure Prediction, Advanced Electrostatics for Force Fields, Molecular Dynamics Simulation, Monte Carlo Methods.

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s NAPages

Molecular Dynamics Simulation A Short Introduction

This note covers the followed covers: The classical force field, Setting up a simulation, Connection to statistical mechanics, Usage of MD simulation.

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s 67Pages

Molecular Geometries and Covalent Bonding Theories

This note covers the following topics: Molecular Shapes, What Determines the Shape of a Molecule, Valence Shell Electron Pair, Repulsion Theory, Molecular Arrangments, Lone pairs and Bond Angle, Multiple Bonds and Bond Angles, Trigonal Bipyramidal arrangment, Polarity, Overlap and Bonding, Hybrid Orbitals, Valence Bond Theory, Single Bonds, Multiple Bonds, Delocalized Electrons, Orbitals in Molecules.

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s 54Pages

Molecular Modeling in Undergraduate Chemistry Education

This note covers the following topics: Electron Densities, Electrostatic Potentials, Electrostatic Potential Maps, Molecular Orbitals, Molecular Orbital Maps, Molecular Modeling Workbook.

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s 65Pages

Molecular Mechanics Tutorial (PDF 77P)

This note covers the following topics: steric energy, enthalpy of formation, comparing steric energies, energy minimization, molecular dynamics, distance geometry and d to d model conversion, free energy perturbation theory (FEP), continuum solvation electrostatics, normal mode analysis, partial atomic charges.

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s 77Pages

The molecule of the month

This is one of the longest running chemistry web pages on the internet (started in January 1996). Each month since then a new molecule has been added to the list on this page.

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s NAPages

Molecular Orbital Theory (PDF 285p)

This book was designed primarily for advanced-undergraduate and first-year graduate students as an introduction to molecular orbital theory. Topics covered includes: Atomic Orbitals, Diatomic Molecules, Electronic States of Molecules, Hybridization, Band Intensities, Triatomic Molecules, Selected Molecules with Four or More Atoms and Molecular Orbitals Involving d Valence Orbitals.

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s 285Pages

Molecular Electronic Structures an introduction (PDF 139P)

This book is an introduction to molecular electronic structural theory. It is aimed at students who have reasonable familiarity with differential and integral calculus and are beginning a study of the physical description of chemical systems.

Author(s):

s 139Pages

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