Polyatomic Molecules

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Structure of Free Polyatomic Molecules

Author : Kozo Kuchitsu
Publisher : Springer Science & Business Media
Page : 223 pages
File Size : 52,5 Mb
Release : 2013-03-09
Category : Science
ISBN : 9783642457487

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Structure of Free Polyatomic Molecules by Kozo Kuchitsu Pdf

This volume Structure of Free Polyatomic Molecules Basic Data contains frequently used data from the corresponding larger Landolt-Börnstein handbooks in a low price book for the individual scientists working in the laboratory. Directories link to the more complete volumes in the library. The book contains important information about a large number of semiconductors.

Polyatomic Molecules

Author : Robert S. Mulliken
Publisher : Elsevier
Page : 448 pages
File Size : 51,8 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323149945

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Polyatomic Molecules by Robert S. Mulliken Pdf

Polyatomic Molecules: Results of Ab Initio Calculations describes the symmetry of polyatomic molecules in ground states. This book contains 12 chapters that also cover the excited and ionized states of these molecules. The opening chapter describes the nature of the various ab initio computational methods. The subsequent four chapters deal with the three-atom systems, differing with respect to the number of hydrogen atoms in the molecules. These chapters also discuss the reaction surfaces of these systems. These topics are followed by discussions on the molecules whose ground states belong to relatively high, little or no symmetry groups. The concluding chapters explore the inorganic and relatively large organic molecules. These chapters also examine the ab initio calculations of molecular compounds and complexes, as well as hydrogen bonding and ion hydration. This text will be of great value to organic and inorganic chemists and physicists.

Computational Spectroscopy of Polyatomic Molecules

Author : Sergey Yurchenko
Publisher : CRC Press
Page : 206 pages
File Size : 54,5 Mb
Release : 2023-02-18
Category : Science
ISBN : 9781498761208

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Computational Spectroscopy of Polyatomic Molecules by Sergey Yurchenko Pdf

This book provides a detailed description of the modern variational methods available for solving the nuclear motion Schrödinger equation to enable accurate theoretical spectroscopy of polyatomic molecules. These methods are currently used to provide important molecular data for spectroscopic studies of atmospheres of astronomical objects including solar and extrasolar planets as well as cool stars. This book has collected descriptions of quantum mechanical methods into one cohesive text, making the information more accessible to the scientific community, especially for young researchers, who would like to devote their scientific career to the field of computational molecular physics. The book addresses key aspects of the high-accuracy computational spectroscopy of the medium size polyatomic molecules. It aims to describe numerical algorithms for the construction and solution of the nuclear motion Schrödinger equations with the central idea of the modern computational spectroscopy of polyatomic molecules to include the construction of the complex kinetic energy operators (KEO) into the computation process of the numerical pipeline by evaluating the corresponding coefficients of KEO derivatives on-the-fly. The book details key aspects of variational solutions of the nuclear motion Schrödinger equations targeting high accuracy, including construction of rotational and vibrational basis functions, coordinate choice, molecular symmetry as well as of intensity calculations and refinement of potential energy functions. The goal of this book is to show how to build an accurate spectroscopic computational protocol in a pure numerical manner of a general black-box type algorithm. This book will be a valuable resource for researchers, both experts and not experts, working in the area of the computational and experimental spectroscopy; PhD students and early-career spectroscopists who would like to learn basics of the modern variational methods in the field of computational spectroscopy. It will also appeal to astrophysicists and atmospheric physicists who would like to assess data and perform calculations themselves. Key features: Supported by the latest research and based on the state-of-the-art computational methods in high-accuracy computational spectroscopy of molecules. Authored by an authority in the field. Accessible to both experts and non-experts working in the area of computational and experimental spectroscopy, in addition to graduate students.

Higher Excited States of Polyatomic Molecules

Author : Melvin Robin
Publisher : Elsevier
Page : 391 pages
File Size : 42,6 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323152594

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Higher Excited States of Polyatomic Molecules by Melvin Robin Pdf

Higher Excited States of Polyatomic Molecules, Volume I focuses on the spectra in the vacuum-ultraviolet region between 50,000 and 100,000 cm-1. This book explores the higher excitations in molecules beyond 50,000 cm-1. Organized into three chapters, this volume starts with an overview of the excited-state properties of a molecule and the excited-state ionization potential. This book then proceeds with a discussion of the original classification of the properties as well as the types of excitations observed in the vacuum-ultraviolet. Other chapters discuss photoelectron spectroscopy, which is an independent, self-sustaining branch of molecular spectroscopy. This text examines as well the distinction between valence shell and Rydberg excitations. The final chapter deals with several topics, including the saturated molecules that are classified as having all valence electrons, the alkene absorption spectra, and the spectroscopic data on boron compounds. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.

Multiple-Photon Excitation and Dissociation of Polyatomic Molecules

Author : Cyrus D. Cantrell
Publisher : Springer Science & Business Media
Page : 300 pages
File Size : 53,9 Mb
Release : 2013-03-08
Category : Science
ISBN : 9783642822926

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Multiple-Photon Excitation and Dissociation of Polyatomic Molecules by Cyrus D. Cantrell Pdf

In the early 1970s, researchers in Canada, the Soviet Union and the United States discovered that powerful infrared laser pulses are capable of dissociating mole cules such as SiF4 and SF6' This result, which was so unexpected that for some time the phenomenon of multiple-photon dissociation was not recognized in many cir cumstances in which we now know that it occurs, was first publicized at a time when the possibility of using lasers for the separation of isotopes had attracted much attention in the scientific community. From the mid-1970s to the early 1980s, hun dreds of experimental papers were published describing the multiple-photon absorp tion of C02 laser pulses in nearly every simple molecule with an absorption band in the 9 - 11 jJm region. Despite this impressive volume of experimental results, and despite the efforts of numerous theorists, there is no agreement among re searchers in the field on many fundamental aspects of the absorption of infrared laser light by polyatomic molecules. This book is devoted to reviells of the experimental and theoretical research that provides the foundations for our current understanding of molecular multiple photon exc itat i on, and to rev i ews of research that is pert i nent to the 1 aser sep aration of isotopes.

Molecular Physics

Author : Theodore Buyana
Publisher : World Scientific
Page : 780 pages
File Size : 48,6 Mb
Release : 1997
Category : Science
ISBN : 9810208308

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Molecular Physics by Theodore Buyana Pdf

This book combines in one concise volume the diverse work of several similar books in the market. Each chapter is self-contained and designed to serve the needs of graduates and undergraduates in physics, biochemistry and chemistry. Numerous illustrations accompany the material and more than 60 problems in molecular physics are worked out. Tedious mathematics that obscures the essence of physics is avoided. Though mainly theoretical, many important experimental aspects are included and discussed. It aims at teaching, and not commenting on scientific knowledge. An essential compendium, it can be used both as a textbook and a reference.The main features covered include: Quantum-mechanical treatment of molecular physics; theoretical treatment of molecular spectra and experimental techniques in spectroscopy; interatomic interactions, potentials, molecular stability, energy levels, bonds, rotational and vibrational states, anharmonicity, polarization; theoretical consideration of real molecules. Resonance methods (NMR, NQR, EPR and ENDOR. Theory, experimental apparatus, techniques, numerical results, applications and utility thereof).

Equilibrium Structure of Free Molecules

Author : Natalja Vogt,Jean Demaison
Publisher : Springer Nature
Page : 482 pages
File Size : 43,6 Mb
Release : 2023-12-06
Category : Science
ISBN : 9783031360459

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Equilibrium Structure of Free Molecules by Natalja Vogt,Jean Demaison Pdf

The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, whose determination is of fundamental interest. This book examines and systematizes more than three hundred striking structural determinations of free molecules. Featuring high-quality structural data and presenting modern techniques of their determinations by quantum chemistry, high-resolution spectroscopy and electron diffraction, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other related fields.

Structure and Bonding

Author : Jack Barrett
Publisher : Royal Society of Chemistry
Page : 196 pages
File Size : 40,6 Mb
Release : 2001
Category : Education
ISBN : 085404647X

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Structure and Bonding by Jack Barrett Pdf

Structure and Bonding covers introductory atomic and molecular theory as given in first and second year undergraduate courses at university level. This book explains in non-mathematical terms where possible, the factors that govern covalent bond formation, the lengths and strengths of bonds and molecular shapes. Throughout the book, theoretical concepts and experimental evidence are integrated. An introductory chapter summarizes the principles on which the Periodic Table is established, and describes the periodicity of various atomic properties which are relevant to chemical bonding. Symmetry and group theory are introduced to serve as the basis of all molecular orbital treatments of molecules. This basis is then applied to a variety of covalent molecules with discussions of bond lengths and angles and hence molecular shapes. Extensive comparisons of valence bond theory and VSEPR theory with molecular orbital theory are included. Metallic bonding is related to electrical conduction and semi-conduction. The energetics of ionic bond formation and the transition from ionic to covalent bonding is also covered. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples.

Engineering Chemistry

Author : A.K. Pahari,B.S. Chauhan
Publisher : Laxmi Publications
Page : 610 pages
File Size : 55,6 Mb
Release : 2006-05
Category : Chemical engineering
ISBN : 8170089565

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Engineering Chemistry by A.K. Pahari,B.S. Chauhan Pdf

Radiationless Transitions in Polyatomic Molecules

Author : Ėmilʹ Samuilovich Medvedev,Vladimir Iosifovich Osherov
Publisher : Springer
Page : 396 pages
File Size : 46,9 Mb
Release : 1995
Category : Science
ISBN : UOM:39015032203633

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Radiationless Transitions in Polyatomic Molecules by Ėmilʹ Samuilovich Medvedev,Vladimir Iosifovich Osherov Pdf

Radiationless Transitions in Polyatomic Molecules treats the dynamics of electronically excited states and the transition probabilities of electronic relaxation processes. Based on a simple and transparent, yet rigorous presentation of the basic physical concepts, the mathematical methods required are developed in detail from first principles and new light shed on the treatment of traditional issues.

Radiationless Transitions in Polyatomic Molecules

Author : Emile S. Medvedev,Vladimir I. Osherov
Publisher : Springer
Page : 0 pages
File Size : 47,9 Mb
Release : 2012-01-11
Category : Science
ISBN : 3642851118

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Radiationless Transitions in Polyatomic Molecules by Emile S. Medvedev,Vladimir I. Osherov Pdf

Radiationless transitions comprise an important class of physical phenomena occurring in the excited states of molecules. They affect the lifetimes of the ex cited states and govern primary photochemical and photophysical processes. Much effort has been devoted to the understanding of radiationless transi tions. Still, owing to recent advances, the field continues to attract attention. The demand for a book on the theory of these processes naturally arises in at tempting to comprehend a large body of literature, as the famous review article by K. F. Freed and the book by R. Englman do not encompass some issues of current interest. Our intent is to highlight the underlying physical principles and methods in such a way that the book both in its content and its presentation is instruc tive for a wide audience. The basic ideas are treated in simple mathematical terms intelligible to ex perimentalists and to readers unfamiliar with the field. Complicated theoret ical methods are always expounded from first principles, so that a knowledge of quantum mechanics and mathematics at the graduate-student level will enable the reader to easily follow the derivations. Experts will find efficient methods of calculating the transition rates, as well as new applications of quasiclassical methods and fresh treatments of standard problems. Details of measurements are not discussed, and experimental data are only invoked to illustrate the theory.

Electric-dipole Polarizabilities of Atoms, Molecules, and Clusters

Author : Keith D. Bonin,Vitaly V. Kresin
Publisher : World Scientific
Page : 274 pages
File Size : 53,5 Mb
Release : 1997
Category : Science
ISBN : 9810224931

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Electric-dipole Polarizabilities of Atoms, Molecules, and Clusters by Keith D. Bonin,Vitaly V. Kresin Pdf

This book is an in-depth review of experiment and theory on electric-dipole polarizabilities. It is broad in scope, encompassing atomic, molecular, and cluster polarizabilities. Both static and dynamic polarizabilities are treated (in the absence of absorption) and a full tensor picture of the polarizability is used. Traditional experimental techniques for measuring electric polarizabilities are described in detail. Recently developed experimental methods, including light forces, position-sensitive time-of-flight deflection, and atom interferometry, are also extensively discussed. Theoretical techniques for calculating polarizabilities are reviewed, including a discussion on the use of Gaussian basis sets. Many important comparisons between theory and experiment are summarized in an extensive set of tables of polarizabilities of important atoms, molecules, and clusters. Applications of polarizabilities to many areas of chemistry and physics are described, including optics, chemical structure, interactions of gases and particles with surfaces, and the interaction of molecules with light. The emphasis is on a lucid presentation of the ideas and results with up-to-date discussions on important applications such as optical tweezers and nanostructure fabrication. This book provides an excellent overview of the importance of polarizabilities in understanding the physical, electronic, and optical properties of particles in a regime that goes from free atoms to condensed-phase clusters.

Intensity Theory for Infrared Spectra of Polyatomic Molecules

Author : Лев Александрович Грибов
Publisher : Unknown
Page : 128 pages
File Size : 42,6 Mb
Release : 1964
Category : Absorption spectra
ISBN : UOM:39015004509165

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Intensity Theory for Infrared Spectra of Polyatomic Molecules by Лев Александрович Грибов Pdf

Laser Spectroscopy of Highly Vibrationally Excited Molecules

Author : Vladilen Stepanovich Letokhov
Publisher : CRC Press
Page : 358 pages
File Size : 45,9 Mb
Release : 2021-07-29
Category : Science
ISBN : 9781000447859

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Laser Spectroscopy of Highly Vibrationally Excited Molecules by Vladilen Stepanovich Letokhov Pdf

Laser spectroscopy has been perfected over the last fifteen years to become a precise tool for the investigation of highly vibrationally excited molecules. Intense infrared laser radiation permits both the multiple-photon resonant excitation and the dissociation of polyatomic molecules. In this book, the latest results of some of the foremost Soviet researchers are published for the first time in the West. Laser Spectroscopy of Highly Vibrationally Excited Molecules contains a comprehensive study of both the experimental and theoretical aspects of the basic photophysical interactions that occur in these processes. The book first focuses on the nonlinear interaction between the resonant vibrational mode and the intense infrared field and then examines the nonlinear interaction between the vibrational modes themselves due to anharmonicity. These interrelated processes determine all the characteristics of polyatomic molecules in an infrared field. The book also discusses related phenomena such as spectra broadening, optical resonance, photon echoes, and dynamical chaos. It includes examples of multiple-photon resonant excitation such as the excitation of OsO4 by CO^O2 laser radiation, which is detected by the visible luminescence that results. This book will be of great interest to researchers and postgraduate students in infrared laser spectroscopy and the laser chemistry of molecules and applications of isotope separation.