0
Your cart

Your cart is empty

Browse All Departments
  • All Departments
Price
  • R2,500 - R5,000 (1)
  • -
Status
Brand

Showing 1 - 1 of 1 matches in All Departments

Equilibrium Molecular Structures - From Spectroscopy to Quantum Chemistry (Hardcover): Jean Demaison, James E. Boggs, Attila G.... Equilibrium Molecular Structures - From Spectroscopy to Quantum Chemistry (Hardcover)
Jean Demaison, James E. Boggs, Attila G. Csaszar
R4,649 Discovery Miles 46 490 Ships in 10 - 15 working days

Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these differences, but until now, no textbook has been written to discuss such topics in a widely accessible manner. Balancing quantum theory with practical experiments, Equilibrium Molecular Structures focuses on the theory involved in determining and converting measured and computed data sets into accurate and well-defined equilibrium structures. This textbook begins with a discussion of quantum chemistry and the concept of potential energy surfaces, quantum chemical computation of structures and anharmonic force fields. The reader is next introduced to the method of least squares and the problem of ill-conditioning, leverage points, perturbation theory, computational aspects of determining semi-experimental equilibrium structures, the determination of moments of inertia from spectra, and the treatment of resonances. The textbook also examines the determination of diatomic molecular potentials using semiclassical and quantum mechanical methods as well as position and distance averages. From basic elements to the latest advances and current best practices, Equilibrium Molecular Structures contains abundant references, examples, and exercises. Additional examples are also available as downloadable support material on the publishers website. These features make the book ideal for class instruction but also user-friendly for self-instruction. It is recommended for newcomers to the field and also for experienced spectroscopists who want to expand their area of knowledge.

Free Delivery
Pinterest Twitter Facebook Google+
You may like...
International Energy Investment Law…
Peter Cameron Hardcover R10,048 Discovery Miles 100 480
The Law and Policy of Environmental…
Kalyani Robbins Paperback R1,370 Discovery Miles 13 700
Understanding Joint Operating Agreements
Eduardo Pereira Hardcover R4,436 Discovery Miles 44 360
Research Handbook on Oil and Gas Law
Tina Soliman Hunter, Madeline Taylor Hardcover R6,779 Discovery Miles 67 790
Charting the Water Regulatory Future…
Julien Chaisse Hardcover R4,709 Discovery Miles 47 090
Carbon Markets Around the Globe…
Sven Rudolph, Elena Aydos Hardcover R3,411 Discovery Miles 34 110
Energy Law in Brazil - Oil, Gas and…
Yanko Marcius de Alencar Xavier Hardcover R3,932 R3,402 Discovery Miles 34 020
Regulating Shale Gas - The Challenge of…
Leonie Reins Hardcover R3,238 Discovery Miles 32 380
Research Handbook on Energy, Law and…
Malik R Dahlan, Rosa M. Lastra, … Hardcover R7,917 Discovery Miles 79 170
European Community Energy Law:Selected…
David Dougall Hardcover R8,142 Discovery Miles 81 420

 

Partners