Quantum chemistry / Ira N. Levine.—Seventh edition. .. (available online at terney.info; S. G. Brush, Am. J. Phys., 70, Quantum Chemistry 7th Edition by Ira N. Levine ISBN ISBN Ebookcom S e v e nth Editi o n Quantum Chemistry Ira N. Levine .. ( ) (available online at terney.info; S. G. .
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The presentation of quantum chemistry steers a middle course between an exces - sively mathematical treatment that would obscure the physical ideas for most. View: PDF | PDF w/ Links. Related Content Quantum Chemistry, 5th Edition (by Ira N. Levine). Journal of Physical Chemistry, Second Edition (Levine, Ira N.). Quantum mechanical phenomena form the basis of all chemical behavior, and some familiarity with elementary quantum mechanics is essential for any.
Quantum Chemistry, 5th Edition by Ira N. Journal of Often the users must switch from menu to menu. It is hard to remember what is where. Both versions of the system are remarkably free from bugs. There are a few "difficulties",as opposed to bugs, but ways exist around them.
Error handling is excellent. Effectively, this limits the use of HyperChem to a single PC. For the IRIS system, the installation of HvperChem requires the manipulation of mile-long codes, and is best coiducted by a system expert.
The "Help" line of Autodesk is indeed helpful and effective, however. Both versions of "HyperChem" have a "SCRIPT" feature which, in theory, allows the instructor to set up certain problems and operating conditions for the student, without requiring too much input from the student. From the PC version, printing works quite nicely.
If one has a Hewlett-Paekard Deskiet C. Pedagogic Value HvnerChem will be useful to those who teach General. Chemistry in allowing students to perceive the basic shapes of molecules and to manipulate the images. I t is convenient to make a videotape of the display provided by HvnerChem for view of the entire class. Students like viewing the "realtime" approach to the best geometly, as energfminimization progresses. One advantage of HyperChem is that an accurate calculation may be performed on a subset of a large structure, which makes calculation times manageable.
The great strength of HyperChem is in the ease of entry to proteins and nucleic acids. Proteins may be constructed from standard geometry amino acid inputs to a helix or to a beta sheet structure.
The angles associated with critical bonds may be varied as required.
Nucleic acids may he constructed by calling up various bases in their standard geometries in A, B, or Z helix forms, as well as in the two ribose geometries.
The representations of the duplex helical DNA structures are particularly striking.
Perutz, W. We apologize to the author and for any confusion that has I Student Reaction Student reaction has been positive Recommendations Although HyperChem is one of the best conceived packages on the market, nothing is perfect, and a few minor criticisms are in order.
For organic students, it is not obvious how to specify stereochemistry. For example, the "Build" option where HyperChem converts a 2D input to a 3D structure prior to calculation has a penchant for placing groups axial on a cyclohexane skeleton.
However, the "constrain torsional angle" and "constrain bond angle" options are useful, once they are mastered. The stereochemistry deficiency is bad enough to make one of the other calculation programs say, PC MODEL preferred if organic classes will be the main users of the program. In addition, the "Molecular Dynamics" option is not explained in adequate detail for the average user to derive much benefit from this energy minimization mode.
The "LOG" file can be actuated to obtain a print-out of the calculation. Even so, the "LOG" file is too sparse to be of much use for a student wishing to write a report on a calculation, and its implications. A record of the energy after each iteration, which is provided in the log file, is of little use to the student.
However, bond angles, interatomic distances, etc. Add a "move atom" ontion for the sake of organic students.
Summary Should you spend time trying to convince skeptical administrators to download HyperChem for your teaching program in the face of limited teaching budgets? The answer is most definitely YES, especially if biological molecules will be of interest. HyperChem is a well turned out program of high educational value. No portion of this material may be reproduced, in any form or by any means, without permission in writing from the publisher.
Levine Known for its solid presentation of mathematics, this bestseller is a rigorous but accessible introduction to both quantum chemistry and the math needed to master it. In-depth treatment of quantum chemistry Click to zoom In-depth treatment of quantum chemistry gives advanced undergraduate students and beginning graduate students the background to understand the basic principles.
Thorough Updates Click to zoom Thorough updates reflect the latest quantum chemistry research and methods of computational chemistry, including several new literature references.
Features Detailed reviews of necessary mathematics are included complex numbers, differential equations, operators, vectors,determinants, simultaneous linear equations, matrices , taking into account the limited mathematics background of chemistry students. The mathematics is integrated into the text so students can immediately see it applied to quantum chemistry.
Derivations are presented in full, step-by-step detail so students at all levels can easily follow and understand. Perturbation Theory Electron Spin and the Spin-Statistics Theorem Many-Electron Atoms. Molecular Symmetry Electronic Structure of Diatomic Molecules Theorems of Molecular Quantum Mechanics