LIVRE: Computational Chemistry Using the PC - Rogers - English - pdf

LIVRE: Computational Chemistry Using the PC - Rogers - English - pdf
LIVRE: Computational Chemistry Using the PC - Rogers - English - pdf 


Présentation du livre 

No part of this publication may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, recording, scanning, or otherwise, except as permitted under Section 107 or 108 of the 1976 United States Copyright Act, without either the prior written permission of the Publisher, or authorization through payment of the
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Limit of Liability/Disclaimer of Warranty: While the publisher and author have used their best efforts in preparing this book, they make no representations or warranties with respect to the accuracy or completeness of the contents of this book and specifically disclaim any implied warranties of merchantability or fitness for a particular purpose. No warranty may be created or extended by sales representatives or written sales materials. The advice and strategies contained herein may not be suitable for your situation. You should consult with a professional where appropriate. Neither the publisher nor author shall be liable for any loss of profit or any other commercial damages, including but not limited to special, incidental, consequential, or other damages.


Chapter 1. Iterative Methods

Chapter 2. Applications of Matrix Algebra

Chapter 3. Curve Fitting

Chapter 4. Molecular Mechanics: Basic Theory

Chapter 5. Molecular Mechanics II: Applications

Chapter 6. Huckel Molecular Orbital Theory I: Eigenvalues

Chapter 7. Huckel Molecular Orbital Theory II: Eigenvectors

Chapter 8. Self-Consistent Fields

Chapter 9. Semiempirical Calculations on Larger Molecules

Chapter 10. Ab Initio Molecular Orbital Calculations 

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