Transcription of Spartan Student Tutorials
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Spartan Student Tutorials
Spartan Student Tutorials WAVEFUNCTION. Wavefunction, Inc. 18401 Von Karman Avenue, Suite 370. Irvine, CA 92612 Wavefunction, Inc., Japan Branch Office 3-5-2, Kouji-machi, Suite 608. Chiyoda-ku, Tokyo, Japan 102-0083. Spartan Student is a collaboration with Q-Chem, Inc. TM. A Quantum Leap Into the Future of Chemistr y Q-CHEM, INC. 6601 Owens Drive, Suite 105. Pleasanton, CA 94588. Copyright 2002-2014 by Wavefunction, Inc. All rights reserved in all countries. No part of this book may be reproduced in any form or by any electronic or mechanical means including information storage and retrieval systems without permission in writing from the publisher, except by a reviewer who may quote brief passages in a review. Getting Started The Tutorials that follow provide a brief introduction to both the user interface and the calculation capabilities of Spartan Student . The intent is to provide hands-on experience with the user interface and in doing so, illustrate the set up, submission, and interpretation of molecular mechanics and quantum chemical calculations.
ii Getting Started The tutorials in Spectra, Properties, and Graphical Models of Organic Molecules from the Database (Chapter 4) and Spectra, Properties and Graphical Models from Quantum Chemical Calculations (Chapter 5) make use of the same molecules built or sketched in the previous chapters, but now the focus is on obtaining
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