Categories
Technical
Study
Novel
Nonfiction
Health
Tutorial
Entertainment
Business
Magazine
Arts & Design
Audiobooks & Video Training
Cultures & Languages
Family & Home
Law & Politics
Lyrics & Music
Software Related
eBook Torrents
Uncategorized
Study
Novel
Nonfiction
Health
Tutorial
Entertainment
Business
Magazine
Arts & Design
Audiobooks & Video Training
Cultures & Languages
Family & Home
Law & Politics
Lyrics & Music
Software Related
eBook Torrents
Uncategorized
Share With Friends
Archive by Date
2012-08-06
2012-08-05
2012-08-04
2012-08-03
2012-08-02
2012-08-01
2012-07-31
2012-07-30
2012-07-29
2012-07-28
2012-08-05
2012-08-04
2012-08-03
2012-08-02
2012-08-01
2012-07-31
2012-07-30
2012-07-29
2012-07-28
Search Tag
formatted
tattooing
Wingtip
Brilli
Peatlands
Adenoids
forensische
Uzbrojenia
Vilaglapja
东南大学
consequences
Tommi
Eukalyptushain
Feigon
aviones
41483
Marzi
初探
做生意
illness
东夜之
Directly
诞生
Outra
elektromagnetische
论文集
Fouilles
Smilansky
launische
Eeeno
艺术学概论彭吉象
艺术学概论
Noritake
Pootra
Watzmann
The Rmger Issue 3 Jung July 2012
AlKareem
Cruncher
Malet
Adkison
commands
Foldables
Oper
Spens
Branco
Lado
Predecesores
Kristanix
Verleiders
Screenwriting
Newest
Lectures on Numerical Methods in Bifurcation Problems
Methods for Finding Zeros in Polynomials
Lectures on Stochastic Flows and Applications
Educational Psychology by Edward L. Thorndike
The Last Days of Tolstoy by V. G. Chertkov
Globalization and Responsibility
Lectures on Siegel Modular Forms and Representation by Quadratic Forms
Lectures on Topics In One-Parameter Bifurcation Problems
History of the Incas by Pedro Sarmiento de Gamboa
Linear Algebra: Theorems and Applications
Lectures on Stochastic Differential Equations and Malliavin Calculus
A Short Biographical Dictionary of English Literature
Lectures on Sieve Methods and Prime Number Theory
Dollars and Sense by William Crosbie Hunter
The Theory of the Theatre by Clayton Hamilton
The Mathematics of Investment
Occupiers of Wall Street: Losers or Game Changers
The Solution of the Pyramid Problem
Lectures on Moduli of Curves
Walden by Henry David Thoreau
Methods for Finding Zeros in Polynomials
Lectures on Stochastic Flows and Applications
Educational Psychology by Edward L. Thorndike
The Last Days of Tolstoy by V. G. Chertkov
Globalization and Responsibility
Lectures on Siegel Modular Forms and Representation by Quadratic Forms
Lectures on Topics In One-Parameter Bifurcation Problems
History of the Incas by Pedro Sarmiento de Gamboa
Linear Algebra: Theorems and Applications
Lectures on Stochastic Differential Equations and Malliavin Calculus
A Short Biographical Dictionary of English Literature
Lectures on Sieve Methods and Prime Number Theory
Dollars and Sense by William Crosbie Hunter
The Theory of the Theatre by Clayton Hamilton
The Mathematics of Investment
Occupiers of Wall Street: Losers or Game Changers
The Solution of the Pyramid Problem
Lectures on Moduli of Curves
Walden by Henry David Thoreau
Useful Links
John D Roberts, «Notes on Molecular Orbital Calculations»
Posted on 2010-04-15
|
More From the Preface: For practicing organic chemists the simple, linear-combination-of-atomic-orbitals (LCAO), molecular-orbital method permits useful calculations of semi-empirical electronic energies of unsaturated molecules with no more than high school algebra. Anyone who can find the roots of x^4 - 5x^2 + 4x = 0 graphically, analytically, or by successive substitutions can obtain the energy levels and calculate the [Greek pi]-electron energy of bicyclo[1.1.0]butadiene. [figure of bicyclobutadiene] If in addition he can solve x^4 - 4x^2 = 0, then he can compare bicyclobutadiene with cyclobutadiene and predict what changes the 1, 3 bond would make in the a-electron energies. With no more advanced mathematics, one can compute the bond orders, charge distributions, and reactivity parameters for both free-radical and polar processes. The results may be crude, but they are often highly suggestive; there is no excuse for a modern organic chemist not to be able to use the LCAO method. The notes that make up this book have been used for many years at the California Institute of Technology to introduce seniors and graduate students to the elements of the simple LCAO method. A fairly large number of exercises are interspersed in the text to illustrate important points. It is recommended that these be solved as encountered. Some of the problems are hoped to be suggestive of possible research problems in the field. These Notes are not intended as a complete course of study and should be supplemented by the reference works listed in the Bibliography.
Rating:
2.5 out of 5 by Book123 |
Download Links | |
Server | Status |
---|---|
Direct Download Link 1 | Alive |
Direct Download Link 2 | Alive |
Download Link (Download Link 1) | Alive |
Buy This Book at Best Price >> |
Like this article?! Give us +1: