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
Quantum Chemistry
This book covers the following topics: The Old Quantum Theory, Principles Of Classical Mechanics, Principles Op Quantum Mechanics, The Quantum Mechanics Of Some Simple Systems, The Hydrogen Atom, Atomic Structure, Group Theory, Electronic States Of Diatomic Molecules, Elements Op Quantum Statistical Mechanics, The Principles Of Molecular Spectroscopy.
Author(s): Henry Eyring, John Walter and George E. Kimball
410 Pages 
Quantum Chemistry by Mark S. Gordon
This note explains the following topics: Introduction to Quantum Chemistry, Introduction to GAMESS, From Schrodinger to Hartree-Fock, Basis Sets and Pseudopotentials, Density Functional Theory, Introduction to MCSCF, Solvation Methods, Excited States Methods, Composite Methods, Global Optimization and Coarse Graining.
Author(s): Mark S. Gordon
NA Pages
Advanced Quantum Chemistry by Patrik R. Callis
Scope of this note is to explain applications of quantum mechanics to many-electron atoms and molecules, concentrating on stationary and time-dependent electronic and vibrational states. Topics covered includes: Need for quantum mechanics, Quantum concepts and understanding quantum mechanics, Brief review of operators, wavefunctions, and the Schrodinger equation with and without time, wavefunction curvature, kinetic energy, and tunneling, Nodal properties of 3D wavefunctions for various shapes, Physical relevance and the Rules of Quantum Mechanics, Variation principle, linear variation method, and perturbation limit, Born-Oppenheimer approximation, Integration of symmetry and group theory in the context of quantum mechanics, Time dependent Schrodinger Equation, Time Dependence of Probability Density, Atom-centered Density Matrix Propagation.
Author(s): Patrik R. Callis
NA Pages
Density Functional Theory and Quantum Chemistry Studies on dry and wet NaCl
This note covers the following topics: Theoretical Background, Bulk NaCl and NaCl(001), Monoatomic Steps on NaCl(001), Halogen Adatoms on Alkali Halide Surfaces, Towards a High Precision Estimate of the Adsorption Energy of Water on Salt, Hybrid xc Functionals for Water Adsorption on NaCl(001) and Electronic Structure Analysis.
Author(s): vorgelegt von
102 Pages
Quantum Chemistry Introductory Material
This note explains theoretical background in Quantum Chemistry and also provides an Overview about GAMESS Program and Applications.
Author(s): Mark S. Gordon
NA Pages
Quantum Chemistry Molecules for Innovations
This book is devoted for the theoretical foundations and innovative applications in quantum chemistry. Topics covered includes: Numerical Solution of Linear Ordinary Differential Equations in Quantum Chemistry by Spectral Method, Composite Method Employing Pseudopotential at CCSD(T) Level, Quantum Chemical Calculations for some Isatin Thiosemicarbazones, Elementary Molecular Mechanisms of the Spontaneous Point Mutations in DNA, Quantum Chemistry and Chemometrics Applied to Conformational Analysis, Charge Carrier Mobility in Phthalocyanines, Theoretical Study for High Energy Density Compounds from Cyclophosphazene.
Author(s): Tomofumi Tada
212 Pages
Introductory Quantum Chemistry
Main goal of this note is to introduce fundamental concepts of Quantum Mechanics with emphasis on Quantum Dynamics and its applications to the description of molecular systems and their inter actions with electromagnetic radiation.
Author(s): Prof. Victor S. Batista
220 Pages
This note covers the following topics: Atoms and Photons, Waves and Particles, Quantum Mechanics of Some Simple Systems, Principles of Quantum Mechanics, Harmonic Oscillator, Angular Momentum, Hydrogen Atom, Helium Atom, Atomic Structure & the Periodic Law, Molecular Orbital Theory, Molecular Symmetry, Molecular Spectroscopy, Nuclear Magnetic Resonance.
Author(s): S. M. Blinder
NA Pages
Introduction to Quantum Mechanics with Applications to Chemistry
This note covers the following topics: Survey Of Classical Mechanics, The Old Quantum Theory, The Schrodinger Wave Equation With The Harmonic Oscillator As An Example, The Wave Equation For A System Of Point Particles In Three Dimensions, The Hydrogen Atom, Perturbation Theory, The Variation Method And Other Approximate Methods, The Rotation And Vibration Of Molecules.
Author(s): Linus Pauling and Bright Wilson E
NA Pages