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.

About the Author

Jean Demaison is a former Research Director at CNRS, University of Lille I. The research for his PhD, which he received in 1972, was performed in Freiburg and Nancy in the field of microwave spectroscopy. He was invited to be a Professor at the Universities of Ulm, Louvain-La-Neuve, and Brussels. In 2008, he received the International Barbara Mez-Starck prize for outstanding contribution in the field of structural chemistry. He has published over 300 papers in research journals and contributed to 17 books. Professor Attila G. Cs�sz�r is the head of the Laboratory of Molecular Spectroscopy at E�tv�s University of Budapest, Hungary. He received his PhD in 1985 in theoretical chemistry at the same place. His research interests include computational molecular spectroscopy, structure determinations of small molecules, ab initio thermochemistry, and electronic structure theory. He has published more than 150 papers in these fields, mostly in leading international journals. James E. Boggs is Professor Emeritus at the University of Texas at Austin. His PhD was received from the University of Michigan after working on the Manhattan District Project. He has spent sabbaticals at Harvard, Berkeley, and the University of Oslo. Dr. Boggs has published over 325 papers, mostly on microwave spectroscopy and applications of quantum theory. He organized the first 23 biennial meetings of the Austin Symposium on Molecular Structure. In 2010, he received the International Barbara Mez-Starck prize for outstanding contributions in structural chemistry. He has been chosen as a Fellow of the American Chemical Society.

"About this title" may belong to another edition of this title.

Store Description

I mainly carry imported books from South East Asia / South Asia for readers of all Age Groups.

Visit Seller's Storefront

Seller's business information

PLETOS INC
6931 51st Avenue, WOODSIDE, Woodside, NY, 11377, U.S.A.

Sale & Shipping Terms

Terms of Sale

We accept return for those books which are received damamged. Though we take appropriate care in packaing to avoid such situation.

Right of cancellation

If you are a consumer you can cancel the contract in accordance with the following. Consumer means any natural person who is acting for purposes which are outside his trade, business, craft or profession.

INFORMATION REGARDING THE RIGHT OF CANCELLATION

Statutory Right to cancel

You have the right to cancel this contract within 14 days without giving any reason.

The cancellation period will expire after 14 days from the day on which you acquire, or a third party other than the carrier and indicated by you acquires, physical possession of the the last good or the last lot or piece.

To exercise the right to cancel, you must inform us, Books Puddle, 244 Madison Ave, Suite # 405, 10016, New York, New York, U.S.A., +1 7183015977, of your decision to cancel this contract by a clear statement (e.g. a letter sent by post, fax or e-mail). You may use the attached model cancellation form, but it is not obligatory. You can also electronically fill in and submit a clear statement on our website, under "My Purchases" in "My Account". If you use this option, we will communicate to you an acknowledgement of receipt of such a cancellation on a durable medium (e.g. by e-mail) without delay.

To meet the cancellation deadline, it is sufficient for you to send your communication concerning your exercise of the right to cancel before the cancellation period has expired.

Effects of cancellation

If you cancel this contract, we will reimburse to you all payments received from you, including the costs of delivery (except for the supplementary costs arising if you chose a type of delivery other than the least expensive type of standard delivery offered by us).

We may make a deduction from the reimbursement for loss in value of any goods supplied, if the loss is the result of unnecessary handling by you.

We will make the reimbursement without undue delay, and not later than 14 days after the day on which we are informed about your decision to cancel with contract.

We will make the reimbursement using the same means of payment as you used for the initial transaction, unless you have expressly agreed otherwise; in any event, you will not incur any fees as a result of such reimbursement.

We may withhold reimbursement until we have received the goods back or you have supplied evidence of having sent back the goods, whichever is the earliest.

You shall send back the goods or hand them over to us or Books Puddle, 244 Madison Ave, Suite # 405, 10016, New York, New York, U.S.A., +1 7183015977, without undue delay and in any event not later than 14 days from the day on which you communicate your cancellation from this contract to us. The deadline is met if you send back the goods before the period of 14 days has expired. You will have to bear the direct cost of returning the goods. You are only liable for any diminished value of the goods resulting from the handling other than what is necessary to establish the nature, characteristics and functioning of the goods.

Exceptions to the right of cancellation

The right of cancellation does not apply to:

the delivery of newspapers, journals or magazines with the exception of subscription contracts; and
the supply of digital content which is not supplied on a tangible medium (e.g. on a CD or DVD) if you accepted when you placed your order that we could start to deliver it, and that you could not cancel it once delivery had started.

Model withdrawal form

(complete and return this form only if you wish to withdraw from the contract)

To: (Books Puddle, 244 Madison Ave, Suite # 405, 10016, New York, New York, U.S.A., +1 7183015977)

I/We (*) hereby give notice that I/We (*) withdraw from my/our (*) contract of sale of the following goods (*)/for the provision of the following goods (*)/for the provision of the following service (*),

Ordered on (*)/received on (*)

Name of consumer(s)

Address of consumer(s)

Signature of consumer(s) (only if this form is notified on paper)

Date

* Delete as appropriate.

Shipping Terms

Shipping rates within U.S.A.

Shipping rates within U.S.A.
Order quantity	12 to 19 business days	12 to 14 business days
First item	� 2.98	� 5.23

Delivery times are set by sellers and vary by carrier and location. Orders passing through Customs may face delays and buyers are responsible for any associated duties or fees. Sellers may contact you regarding additional charges to cover any increased costs to ship your items.