Analytical Chemistry Agricultural Chemistry Applied Chemistry BioChemistry Crystal Chemistry ElectroChemistry Environmental Chemistry Acid Base Chemistry General Chemistry InOrganic Chemistry Kitchen Chemistry Laboratory Chemistry Materials Chemistry BioChemistry Medicinal Chemistry Astrochemistry Books Marine Chemistry Molecular Chemistry Nuclear Chemistry Organic Chemistry OrganoMetallic Chemistry Physical Chemistry Polymer Chemistry Practical Chemistry Quantum Chemistry SpectroMetry Spectroscopy SupraMolecular Chemistry Surface Analysis Theoretical Chemistry Computational Chemistry
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.
Author(s): Aurelia Meghea
NAPages
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.
Author(s): Mihaly Benedict
142Pages
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.
Author(s): Klaus Theopold, Richard Langley, Edward J. Neth, Paul Flowers
NAPages
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.
Author(s): So Hirata
NAPages
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.
Author(s): Prof. William A. Goddard
NAPages
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.
Author(s): MIT OpenCourseWare
NAPages
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.
Author(s): Jay Ponder
NAPages
This note covers the followed covers: The classical force field, Setting up a simulation, Connection to statistical mechanics, Usage of MD simulation.
Author(s): Michel Cuendet
67Pages
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.
Author(s): Prof. Geiger, Michigan State University
54Pages
This note covers the following topics: Electron Densities, Electrostatic Potentials, Electrostatic Potential Maps, Molecular Orbitals, Molecular Orbital Maps, Molecular Modeling Workbook.
Author(s): Warren J. Hehre and Alan J. Shusterman
65Pages
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.
Author(s): Thomas W. Shattuck, Department of Chemistry, Colby College
77Pages
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.
Author(s): Paul May
NAPages
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.
Author(s): Carl Ballhausen, Harry Gray
285Pages
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): Carl J. Ballhausen, Harry B. Gray
139Pages
Advertisement
