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An Introduction to Coupled Cluster Theory
Category :Computational Chemistry  Language: clicks: 2
An Introduction to Coupled Cluster Theory for Computational Chemists, this work is also in print in Volume 14 of Reviews in Computational Chemistry published by Wiley-VCH.
Fundamentals of Nuclear Magnetic Resonance
Category :Nuclear Chemistry  Language: clicks: 4
Contents: 1.1 INTRODUCTION; 1.2 MAGNETIC RESONANCE; 1.3 THE NUCLEAR MAGNETIC RESONANCE EXPERIMENT; 1.4 RELAXATION; 1.5 OTHER NUCLEAR MAGNETIC RESONANCE PARAMETERS; 1.6 NUCLEAR OVERHAUSER EFFECT 1.7 . . . . .
Molecular orbital theory
Category :Chemistry  Language: clicks: 11
These notes are based on lectures on molecular orbital theory that we have presented at the University of Copenhagen and Columbia University. They were designed primarily for advanced-undergraduate an . . . . .
Introductory Quantum Chemistry
Category :Quantum Chemistry  Language: clicks: 12
Contents: Quantum mechanics, atoms, Hartree-Fock, molecules.
Honors General Chemistry II
Category :Chemistry  Language: clicks: 12
This is a set of notes for the second half of an honors general chemistry course. There is a stong emphasis on physical concepts including quantum mechanics and thermodynamics. Click on the course not . . . . .
Physical Chemistry
Category :Physical Chemistry  Language: clicks: 12
Physical Chemistry,Thermodynamics and kinetics mainly.
Lecture Notes: General Chemistry I
Category :Chemistry  Language: clicks: 13
Course notes for the first semester of general chemisty. Notes are broken down by lecture topic. 168p table of contents and index
Physical Chemistry: Quantum Mechanics
Category :Physical Chemistry  Language: clicks: 13
Physical Chemistry: Quantum Mechanics
Lectures about Quantum Chemistry
Category :Quantum Chemistry  Language: clicks: 14
Lectures about Quantum Chemistry: Basic Theory; Hartree-Fock and Configuration Interaction; Coupled-Cluster and Many-Body Perturbation Theory; Programming Lectures.
Electrons and Chemical Bonding
Category :Chemistry  Language: clicks: 14
THIS BOOK WAS DEVELOPED from my lectures on chemical bonding in Chemistry 10 at Columbia in in the spring of 1962, and is mainly intended for the undergraduate student in chemistry who desires an intr . . . . .
High Performance Computing in Chemistry
Category :Computational Chemistry  Language: clicks: 15
High Performance Computing in Chemistry Contents: DFT Functionality in TURBOMOLE; QUI CKSTEP: Make the Atoms Dance; Local Electron Correlation Methods with Density Fitting in MOLPRO; Parallel DFT in TURBOMOLE, Linear Algebra; Continuous Fas . . . . .
General Chemistry I
Category :Chemistry  Language: clicks: 16
First semester undergraduate general chemistry. These pages contain material relating to a first semester undergraduate course in general chemistry. A typical semster course would cover this material . . . . .
A Brief Review of Elementary Quantum Chemistry
Category :Quantum Chemistry  Language: clicks: 16
Contents: The Motivation for Quantum Mechanics; The Schrödinger Equation; Postulates of Quantum Mechanics; Molecular Quantum Mechanics; Solving the Electronic Eigenvalue Problem.
Lecture notes on evaluation of molecular integrals
Category :Computational Chemistry  Language: clicks: 16
Lecture notes on evaluation of molecular integrals.
Quantum Monte Carlo methods for the solution of the Schroedinger
Category :Computational Chemistry  Language: clicks: 17
This is a part of a book chapter soon to appear (2002) in the "Handbook for Numerical Analysis" volume dedicated to "Computational Chemistry" edited by Claude Le Bris. This review deals with some of t . . . . .


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