Highly Accurate Spectroscopic Parameters From Ab Initio Calculations
DOWNLOAD
Download Highly Accurate Spectroscopic Parameters From Ab Initio Calculations PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Highly Accurate Spectroscopic Parameters From Ab Initio Calculations book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Highly Accurate Spectroscopic Parameters From Ab Initio Calculations
DOWNLOAD
Author : Christopher J. Stein
language : en
Publisher: Springer
Release Date : 2016-07-25
Highly Accurate Spectroscopic Parameters From Ab Initio Calculations written by Christopher J. Stein and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-07-25 with Science categories.
In this thesis accurate predictions for the spectroscopic parameters of l-C3H+ and C4 are made from state-of-the-art electronic structure calculations. Both molecules are of interest to interstellar cloud chemistry and only scarce experimental information about their rovibrational properties is available. Christopher J. Stein recapitulates the basics of the computational methods applied and gives an in-depth description of the computer program developed for the rovibrational calculations.
Ab Initio Variational Calculations Of Molecular Vibrational Rotational Spectra
DOWNLOAD
Author : Debra J. Searles
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-14
Ab Initio Variational Calculations Of Molecular Vibrational Rotational Spectra written by Debra J. Searles and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-14 with Science categories.
This work had its beginnings in the early 1980s at the University ofWollongong, with significant contributions from Dr. Margret Hamilton, Professors Peter G. Burton and Greg Doherty. The emphasis was to develop computer code to solve the nuclear Schrodinger problem. For bent triatomic molecules the project was fmally realized at the University of Newcastle a decade or so later, with the contribution from Ms. Feng Wan g. Aspects of this work are now taught in the quantum mechanics and electron spectroscopy courses at The University of Newcastle. Even now "complete" ab initio solutions of the time-independent SchrOdinger equation is not commonplace for molecules containing four atoms or more. In fact, when using the Eckart-Watson nuclear Hamiltonian a further restriction needs to be imposed; that is, the molecule is restricted to undergoing small amplitudes of vibration. This Hamiltonian is useful for molecules containing massive nuclei and moreover, has been extremely useful in interpreting the rovibrational spectra of small molecules. Nevertheless, a number of nuclear Hamiltonians that do not embed an equilibrium geometry have become well established and are extremely successful in interpreting rovibrational spectra of floppy molecules. Furthermore, solution algorithms vary greatly from research group to research group and it is still unclear which aspects will survive the next decade. For example, even for a triatomic molecule a general form of a potential function has not yet been uncovered that will generally interpolate with accuracy and precision ab initio discrete surfaces.
High Accuracy Resonator Spectroscopy Of Atmospheric Gases At Millimetre And Submillimetre Waves
DOWNLOAD
Author : M. Yu. Tretyakov
language : en
Publisher: Cambridge Scholars Publishing
Release Date : 2021-11-12
High Accuracy Resonator Spectroscopy Of Atmospheric Gases At Millimetre And Submillimetre Waves written by M. Yu. Tretyakov and has been published by Cambridge Scholars Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-11-12 with Science categories.
This book is devoted to the most efficient method of obtaining spectroscopic parameters characterising the absorption of microwave radiation by the Earth’s atmosphere. It explores why this field of science is interesting and important for humanity, and details the basics of gas phase molecular spectroscopy. The book also shows the advantages of the resonator spectroscopy technique for quantitative molecular analysis, and reviews the best-known investigations of diagnostic atmospheric lines and the continuum in the millimetre and submillimetre-wave range. It will appeal to a wide range of specialists in the fields of spectroscopy, atmospheric physics, and millimetre and submillimetre-wave techniques, and will be helpful for lecturers and students concerned with these specialised courses.
Accurate Structure Determination Of Free Molecules
DOWNLOAD
Author : Jean Demaison
language : en
Publisher: Springer Nature
Release Date : 2020-12-02
Accurate Structure Determination Of Free Molecules written by Jean Demaison and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-02 with Science categories.
This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure – it is a prerequisite for determining and understanding most other important properties of molecules. The determination of accurate structures is hampered by a myriad of factors, subjecting the collected data to non-negligible systematic errors. This book explains the origin of these errors and how to mitigate and even avoid them altogether. It features a detailed comparison of the different experimental and computation methods, explaining their interplay and the advantages of their combined use. Armed with this information, the reader will be able to choose the appropriate methods to determine – to a great degree of accuracy – the relevant molecular structure.
Global And Accurate Vibration Hamiltonians From High Resolution Molecular Spectroscopy
DOWNLOAD
Author : Michel Herman
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-09
Global And Accurate Vibration Hamiltonians From High Resolution Molecular Spectroscopy written by Michel Herman and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-09 with Science categories.
The latest in a series providing chemical physicists with a forum for critical, authoritative evaluations of advances in every area of the discipline, this stand-alone volume focuses on using high resolution molecular spectroscopy to arrive at global and accurate Vibration Hamiltonians.
Handbook Of High Resolution Spectroscopy
DOWNLOAD
Author : Martin Quack
language : en
Publisher: John Wiley & Sons
Release Date : 2011-09-26
Handbook Of High Resolution Spectroscopy written by Martin Quack and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-26 with Science categories.
The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Physical Chemistry And Chemical Physics Editor S Pick 2021
DOWNLOAD
Author : Malgorzata Biczysko
language : en
Publisher: Frontiers Media SA
Release Date : 2021-07-28
Physical Chemistry And Chemical Physics Editor S Pick 2021 written by Malgorzata Biczysko and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-07-28 with Science categories.
Issues In Specialized Chemical And Chemistry Topics 2011 Edition
DOWNLOAD
Author :
language : en
Publisher: ScholarlyEditions
Release Date : 2012-01-09
Issues In Specialized Chemical And Chemistry Topics 2011 Edition written by and has been published by ScholarlyEditions this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-01-09 with Science categories.
Issues in Specialized Chemical and Chemistry Topics: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Specialized Chemical and Chemistry Topics. The editors have built Issues in Specialized Chemical and Chemistry Topics: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Specialized Chemical and Chemistry Topics in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Specialized Chemical and Chemistry Topics: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Recent Experimental And Computational Advances In Molecular Spectroscopy
DOWNLOAD
Author : Rui Fausto
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Recent Experimental And Computational Advances In Molecular Spectroscopy written by Rui Fausto and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.
Encyclopedia Of Spectroscopy And Spectrometry
DOWNLOAD
Author :
language : en
Publisher: Academic Press
Release Date : 2016-09-22
Encyclopedia Of Spectroscopy And Spectrometry written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-09-22 with Science categories.
This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas