Electron Densities in Molecular and Molecular Orbitals PDF Download
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Author: J.R. Van Wazer
Publisher: Elsevier
ISBN: 032316112X
Category : Science
Languages : en
Pages : 117
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Book Description
Electron Densities in Molecules and Molecular Orbitals aims to explain the subject of molecular orbitals without having to rely much on its mathematical aspect, making it more approachable to those who are new to quantum chemistry. The book covers topics such as orbitals in quantum-chemical calculations; electronic ionizations and transitions; molecular-orbital change distributions; orbital transformations and calculations not involving orbitals; and electron densities and shapes in atoms and molecules. Also included in the book are the cross-sectional plots of electron densities of compounds such as organic compounds like methane, ethane, and ethylene; monomeric lithium fluoride and monomeric methyl lithium; hydrogen cyanide and methinophosphide; and monomeric borane and diborane. The text is recommended for those who have begun taking an interest in quantum chemistry but do not wish to deal yet with the mathematics part of the subject.
Author: J.R. Van Wazer
Publisher: Elsevier
ISBN: 032316112X
Category : Science
Languages : en
Pages : 117
Get Book Here
Book Description
Electron Densities in Molecules and Molecular Orbitals aims to explain the subject of molecular orbitals without having to rely much on its mathematical aspect, making it more approachable to those who are new to quantum chemistry. The book covers topics such as orbitals in quantum-chemical calculations; electronic ionizations and transitions; molecular-orbital change distributions; orbital transformations and calculations not involving orbitals; and electron densities and shapes in atoms and molecules. Also included in the book are the cross-sectional plots of electron densities of compounds such as organic compounds like methane, ethane, and ethylene; monomeric lithium fluoride and monomeric methyl lithium; hydrogen cyanide and methinophosphide; and monomeric borane and diborane. The text is recommended for those who have begun taking an interest in quantum chemistry but do not wish to deal yet with the mathematics part of the subject.
Author: Ronald J Gillespie
Publisher: Courier Corporation
ISBN: 0486310523
Category : Science
Languages : en
Pages : 274
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Book Description
Valence Shell Electron Pair Repulsion (VSEPR) theory is a simple technique for predicting the geometry of atomic centers in small molecules and molecular ions. This authoritative reference was written by Istvan Hartiggai and the developer of VSEPR theory, Ronald J. Gillespie. In addition to its value as a text for courses in molecular geometry and chemistry, it constitutes a classic reference for professionals. Starting with coverage of the broader aspects of VSEPR, this volume narrows its focus to a succinct survey of the methods of structural determination. Additional topics include the applications of the VSEPR model and its theoretical basis. Helpful data on molecular geometries, bond lengths, and bond angles appear in tables and other graphics.
Author: Chérif F. Matta
Publisher: John Wiley & Sons
ISBN: 352762922X
Category : Science
Languages : en
Pages : 978
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Book Description
Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1118407776
Category : Science
Languages : en
Pages : 570
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Book Description
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Author: Bruce Averill
Publisher:
ISBN: 9780321413703
Category : Chemistry
Languages : en
Pages : 1233
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Book Description
Emphasises on contemporary applications and an intuitive problem-solving approach that helps students discover the exciting potential of chemical science. This book incorporates fresh applications from the three major areas of modern research: materials, environmental chemistry, and biological science.
Author: Gilbert Newton Lewis
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 184
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Book Description
Author: Riccardo Freccero
Publisher: Springer
ISBN: 9783030589943
Category : Technology & Engineering
Languages : en
Pages : 221
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Book Description
The thesis focuses on the syntheses, structural characterizations and chemical bonding analyses for several ternary R–M–Ge (R = rare earth metal; M = another metal) intermetallics. The challenges in understanding the main interactions governing the chemistry of these compounds, which lead to our inability to predict their formation, structure and properties, are what provided the motivation for this study. In particular, the R2MGe6 (M = Li, Mg, Al, Cu, Zn, Pd, Ag), R4MGe10-x (M = Li, Mg), R2Pd3Ge5, Lu5Pd4Ge8, Lu3Pd4Ge4 and Yb2PdGe3 phases were synthesized and structurally characterized. Much effort was put into the stabilization of metastable phases, employing the innovative metal flux method, and into the accurate structure solution of twinned crystals. Cutting-edge position-space chemical bonding techniques were combined with new methodologies conceived to correctly describe the Ge–M, Ge–La and also La–M polar-covalent interactions for the La2MGe6 (M = Li, Mg, Al, Cu, Zn, Pd, Ag) series. The present results constitute a step forward in our comprehension of ternary germanide chemistry as well as providing a good playground for further investigations.
Author: Timothy Clark
Publisher: Springer Science & Business Media
ISBN: 3662131501
Category : Science
Languages : en
Pages : 110
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Book Description
This CD-ROM and textbook package introduces chemistry students to the world of molecular orbitals using 3D and VRML representations. An overview of the basic chemistry and physics needed enables readers to move quickly onto the CD. The CD-ROM itself contains an extended interactive textbook and a broad selection of classical organic compounds and inorganic complex ligands complete with their orbitals. Moreover, interactive demonstrations allow students to alter relevant parameters and watch the change in the orbitals'characteristics or take a walk through this fascinating 3D world.
Author: Chang Q Sun
Publisher: Springer
ISBN: 9811001804
Category : Science
Languages : en
Pages : 512
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Book Description
This book features the latest advances and future trends in water science and technology. It also discusses the scientific popularization and quantitative resolution of a variety of mysterious properties of water and ice from the perspective of hydrogen-bond cooperativity in response to stimuli such as chemical contamination, electrification, magnetification, mechanical compression, molecular undercoordination, and thermal excitation. Anomalies include the floating of ice, the Hofmeister effect in solutions, regelation of ice, slipperiness of ice, water’s tough skin, the Mpemba paradox, and the floating bridge. It also addresses the superfluidity of microchannels, hydrogen bond potentials, nanodroplet and bubble thermodynamics, quasisolidity and supersolidity, controlling superhydrophobicity–superhydrophilicity transition, and high-pressure ice formation. The target audience for this book includes students, senior scholars, engineers and practitioners in the area of physical chemistry, biology, as well as aqueous and colloid solutions.
Author: Raymond Chang
Publisher: University Science Books
ISBN: 9781891389337
Category : Science
Languages : en
Pages : 706
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Book Description
This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences. The author's aim is to emphasize the understanding of physical concepts rather than focus on precise mathematical development or on actual experimental details. Subsequently, only basic skills of differential and integral calculus are required for understanding the equations. The end-of-chapter problems have both physiochemical and biological applications.
