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
R4,458 Discovery Miles 44 580 Ships in 12 - 17 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...
Pure Pleasure Electric Heating Pad (30 x…
 (2)
R599 R529 Discovery Miles 5 290
Workplace law
John Grogan Paperback R900 R820 Discovery Miles 8 200
Bostik Sew Simple (25ml)
R31 Discovery Miles 310
Dunlop Pro Padel Balls (Green)(Pack of…
R199 R165 Discovery Miles 1 650
Pokémon Violet
R1,064 Discovery Miles 10 640
Baby Dove Body Wash 400ml
R90 R85 Discovery Miles 850
Ab Wheel
R209 R149 Discovery Miles 1 490
Fly Repellent ShooAway (Black)(4 Pack)
R1,396 R1,076 Discovery Miles 10 760
3 Layer Fabric Face Mask (Blue)
R15 Discovery Miles 150
Breaking Bread - A Memoir
Jonathan Jansen Paperback R330 R220 Discovery Miles 2 200

 

Partners