Thom H Dunning Jr

Author : Angela K. Wilson
Publisher : Springer
ISBN 13 : 3662470519
Total Pages : 350 pages
Book Rating : 4.10/5 ( download)

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Download or read book Thom H. Dunning, Jr. written by Angela K. Wilson and published by Springer. This book was released on 2015-05-04 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this Festschrift celebrating the career of Thom H. Dunning, Jr., selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.

Author : Angela K. Wilson
Publisher :
ISBN 13 : 9783662470527
Total Pages : pages
Book Rating : 4.27/5 ( download)

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Download or read book Thom H. Dunning, Jr written by Angela K. Wilson and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: In this Festschrift celebrating the career of Thom H. Dunning, Jr., selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.

Author :
Publisher : Elsevier
ISBN 13 : 9780080545905
Total Pages : 345 pages
Book Rating : 4.04/5 ( download)

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Download or read book Advances in Molecular Structure Research written by and published by Elsevier. This book was released on 1997-03-08 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Molecular Structure Research

Author : M.A. Duncan
Publisher : Elsevier
ISBN 13 : 9780080545073
Total Pages : 231 pages
Book Rating : 4.76/5 ( download)

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Download or read book Spectroscopy and Structure written by M.A. Duncan and published by Elsevier. This book was released on 1996-01-04 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy and Structure

Author : United States. Congress. House. Committee on Science and Technology (2007). Subcommittee on Research and Science Education
Publisher :
ISBN 13 :
Total Pages : 86 pages
Book Rating : 4.97/5 ( download)

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Download or read book The State of Research Infrastructure at U.S. Universities written by United States. Congress. House. Committee on Science and Technology (2007). Subcommittee on Research and Science Education and published by . This book was released on 2010 with total page 86 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Jerzy Cioslowski
Publisher : Springer Science & Business Media
ISBN 13 : 9781402004247
Total Pages : 276 pages
Book Rating : 4.49/5 ( download)

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Download or read book Quantum-Mechanical Prediction of Thermochemical Data written by Jerzy Cioslowski and published by Springer Science & Business Media. This book was released on 2002-03-31 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs.

Author : J.C. Whitehead
Publisher : Springer Science & Business Media
ISBN 13 : 940093047X
Total Pages : 562 pages
Book Rating : 4.76/5 ( download)

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Download or read book Selectivity in Chemical Reactions written by J.C. Whitehead and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this Workshop on "Selectivity in Chemical Reactions" was to examine the specific preferences exhibited by simple chemical reactions with regards to reagents having particular energy states, symmetries, alignment and orientation and the resulting formation of certain products with their corresponding energies, states, alignment and polarisation. Such problems come close to the ultimate goal of reaction dynamics of being able to determine experimentally and theoretically state-to-state cross sections and stereochemical effects under well defined and characterised conditions. There are many examples of highly selective and specific processes to be found in atmospheric and combustion chemistry and the production of population inversions amongst vibrational and electronic states lies at the heart of the development of chemical laser systems. Only when we can understand the fundamental processes that underlie the selectivity in the formation of products in a chemical reaction and the specific requirements of initial states of the reagents, can we expect to be able to develop the explanatory and predictive tools necessary to apply the subject to the development of new laser systems, efficient combustion schemes and specific methods of chemical synthesis, to the control of atmospheric pollution and to all problems in which it is necessary to direct the outcome of a chemical reaction in a specific way. The brief given to the Workshop was to critically review the field, to discuss the present limitations and difficulties and to identify new directions.

Author :
Publisher : Academic Press
ISBN 13 : 0080582532
Total Pages : 392 pages
Book Rating : 4.35/5 ( download)

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Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1997-03-20 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics,chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area. "Volume 28 collects papers written in honor of Geerd H.F. Diercksen. Diercksen is a pioneer in the field of quantum mechanics whose research includes studies of the structure and stability of hydrogen-bonded and Van der Waals dimers and small clusters, thevibrational and rotational spectra of diatomic and triatomic molecules, on static electric properties in solutions and of molecules absorbed on surfaces. His results are essential in molecular and atomic physics, in astrophysics, and in biochemistry.

Author : C.E. Dykstra
Publisher : Springer Science & Business Media
ISBN 13 : 940096451X
Total Pages : 241 pages
Book Rating : 4.18/5 ( download)

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Download or read book Advanced Theories and Computational Approaches to the Electronic Structure of Molecules written by C.E. Dykstra and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: That there have been remarkable advances in the field of molecular electronic structure during the last decade is clear not only to those working in the field but also to anyone else who has used quantum chemical results to guide their own investiga tions. The progress in calculating the electronic structures of molecules has occurred through the truly ingenious theoretical and methodological developments that have made computationally tractable the underlying physics of electron distributions around a collection of nuclei. At the same time there has been consider able benefit from the great advances in computer technology. The growing sophistication, declining costs and increasing accessibi lity of computers have let theorists apply their methods to prob lems in virtually all areas of molecular science. Consequently, each year witnesses calculations on larger molecules than in the year before and calculations with greater accuracy and more com plete information on molecular properties. We can surely anticipate continued methodological develop ments of real consequence, and we can also see that the advance in computational capability is not about to slow down. The recent introduction of array processors, mUltiple processors and vector machines has yielded a tremendous acceleration of many types of computation, including operations typically performed in quantum chemical studies. Utilizing such new computing power to the ut most has required some new ideas and some reformulations of existing methods.

Author : Ron Shepard
Publisher : Springer
ISBN 13 : 3662481480
Total Pages : 359 pages
Book Rating : 4.86/5 ( download)

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Download or read book Isaiah Shavitt written by Ron Shepard and published by Springer. This book was released on 2015-10-15 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.