spins in chemistry

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Spins In Chemistry

Author : Roy McWeeny
ISBN : 0486434869
Genre : Science
File Size : 52. 6 MB
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Originally delivered as a series of lectures, this volume systematically traces the evolution of the "spin" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of spin and valence; reviews a simple example of the origin of spin Hamiltonians; and explores spin density, spin populations, and spin correlation. Additional topics include nuclear hyperfine effects and electron spin-spin coupling, the g tensor, and chemical shifts and nuclear spin-spin coupling.

Introduction To Dynamic Spin Chemistry

Author : Hisaharu Hayashi
ISBN : 9812384235
Genre : Science
File Size : 45. 88 MB
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Readership: Graduate students, researchers and industrialists in chemistry, physics and biology.

Reduced Density Matrices In Quantum Chemistry

Author : Ernest Davidson
ISBN : 9780323161022
Genre : Science
File Size : 57. 82 MB
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Reduced Density Matrices in Quantum Chemistry is from a special topics course of the author to graduate students at the Ohio State University. The focus of the book is on the structure of the density matrix as reference to the electronic structure of atoms and molecules. Chapters 1 and 2 discuss and differentiate in detail the ensemble density matrix and reduced density matrices. Ensemble density matrix is discussed in the context of different states, while the energy expressions of reduced density matrices are highlighted together with some examples. Chapter 3 accordingly follows through with a description of the properties of reduced density matrices. The succeeding chapters focus on the first-order and second-order reduced density matrices in terms of their analytic and physical properties. The final chapter discusses and interprets the two-body density matrix. The book is intended for graduate students and researchers in the study of quantum chemistry.

Simulation Studies Of Recombination Kinetics And Spin Dynamics In Radiation Chemistry

Author : Amit Agarwal
ISBN : 9783319062723
Genre : Science
File Size : 56. 4 MB
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Amit Agarwal’s thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal.

Discovering Chemistry With Natural Bond Orbitals

Author : Frank Weinhold
ISBN : 9781118229194
Genre : Science
File Size : 26. 35 MB
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This book explores chemical bonds, their intrinsic energies, andthe corresponding dissociation energies which are relevant inreactivity problems. It offers the first book on conceptual quantumchemistry, a key area for understanding chemical principles andpredicting chemical properties. It presents NBO mathematicalalgorithms embedded in a well-tested and widely used computerprogram (currently, NBO 5.9). While encouraging a "look under thehood" (Appendix A), this book mainly enables students to gainproficiency in using the NBO program to re-express complexwavefunctions in terms of intuitive chemical concepts and orbitalimagery.

High Magnetic Fields

Author : Fritz Herlach
ISBN : 9789812774873
Genre : Science
File Size : 33. 90 MB
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This three-volume book provides a comprehensive review of experiments in very strong magnetic fields that can only be generated with very special magnets. The first volume is entirely devoted to the technology of laboratory magnets: permanent, superconducting, high-power water-cooled and hybrid; pulsed magnets, both nondestructive and destructive (megagauss fields). Volumes 2 and 3 contain reviews of the different areas of research where strong magnetic fields are an essential research tool. These volumes deal primarily with solid-state physics; other research areas covered are biological systems, chemistry, atomic and molecular physics, nuclear resonance, plasma physics and astrophysics (including QED).

Introduction To Bioorganic Chemistry And Chemical Biology

Author : David Van Vranken
ISBN : 9781135054823
Genre : Medical
File Size : 31. 59 MB
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Introduction to Bioorganic Chemistry and Chemical Biology is the first textbook to blend modern tools of organic chemistry with concepts of biology, physiology, and medicine. With a focus on human cell biology and a problems-driven approach, the text explains the combinatorial architecture of biooligomers (genes, DNA, RNA, proteins, glycans, lipids, and terpenes) as the molecular engine for life. Accentuated by rich illustrations and mechanistic arrow pushing, organic chemistry is used to illuminate the central dogma of molecular biology. Introduction to Bioorganic Chemistry and Chemical Biology is appropriate for advanced undergraduate and graduate students in chemistry and molecular biology, as well as those going into medicine and pharmaceutical science.

Crc Handbook Of Chemistry And Physics

Author : David R. Lide
ISBN : 0849305950
Genre : Science
File Size : 22. 35 MB
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This student edition features over 50 new or completely revised tables, most of which are in the areas of fluid properties and properties of solids. The book also features extensive references to other compilations and databases that contain additional information.

High Resolution Nmr Techniques In Organic Chemistry

Author : Timothy D. W. Claridge
ISBN : 0080427995
Genre : Science
File Size : 49. 64 MB
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From the initial observation of proton magnetic resonance in water and in paraffin, the discipline of nuclear magnetic resonance has seen unparalleled growth as an analytical method. Modern NMR spectroscopy is a highly developed, yet still evolving, subject which finds application in chemistry, biology, medicine, materials science and geology. In this book, emphasis is on the more recently developed methods of solution-state NMR applicable to chemical research, which are chosen for their wide applicability and robustness. These have, in many cases, already become established techniques in NMR laboratories, in both academic and industrial establishments. A considerable amount of information and guidance is given on the implementation and execution of the techniques described in this book.

Molecules In Physics Chemistry And Biology

Author : Jean Maruani
ISBN : 9027725985
Genre : Science
File Size : 41. 31 MB
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Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences

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