Structure and Dynamics of Hydrogen Bonding in the Liquid State of Small Molecules

Structure and Dynamics of Hydrogen Bonding in the Liquid State of Small Molecules PDF Author: Mark Alan Wendt
Publisher:
ISBN:
Category :
Languages : en
Pages : 268

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Structure and Dynamics of Hydrogen Bonding in the Liquid State of Small Molecules

Structure and Dynamics of Hydrogen Bonding in the Liquid State of Small Molecules PDF Author: Mark Alan Wendt
Publisher:
ISBN:
Category :
Languages : en
Pages : 268

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Book Description


Water in Biological and Chemical Processes

Water in Biological and Chemical Processes PDF Author: Biman Bagchi
Publisher: Cambridge University Press
ISBN: 1107037298
Category : Medical
Languages : en
Pages : 383

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Book Description
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.

The Nature of the Hydrogen Bond

The Nature of the Hydrogen Bond PDF Author: Gastone Gilli
Publisher: OUP Oxford
ISBN: 0191580279
Category : Science
Languages : en
Pages : 330

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Book Description
Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies and geometries. New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: charge- and resonance-assisted H-bonds); full H-bond classification in six classes (the six chemical leitmotifs); and assessment of the covalent nature of strong H-bonds. This leads to three distinct but inter-consistent models able to rationalize the H-bond and predict its strength, based on classical VB theory, matching of donor-acceptor acid-base parameters (PA or pKa), or shape of the H-bond proton-transfer pathway. Applications survey a number of systems where strong H-bonds play an important functional role, namely drug-receptor binding, enzymatic catalysis, ion-transport through cell membranes, crystal design and molecular mechanisms of functional materials.

Valency and Bonding

Valency and Bonding PDF Author: Frank Weinhold
Publisher: Cambridge University Press
ISBN: 9780521831284
Category : Science
Languages : en
Pages : 768

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Book Description
The first modernized overview of chemical valency and bonding theory, based on current computational technology.

Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations

Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations PDF Author: Jannis Samios
Publisher: Springer Science & Business Media
ISBN: 1402023847
Category : Science
Languages : en
Pages : 548

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Book Description
The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.

The Structure and Properties of Water

The Structure and Properties of Water PDF Author: D Eisenberg
Publisher: Oxford University Press, USA
ISBN: 0198570260
Category : Science
Languages : en
Pages : 315

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Book Description
The authors have correlated many experimental observations and theoretical discussions from the scientific literature on water. Topics covered include the water molecule and forces between water molecules; the thermodynamic properties of steam; the structures of the ices; the thermodynamic, electrical, spectroscopic, and transport properties of the ices and of liquid water; hydrogen bonding in ice and water; and models for liquid water. The main emphasis of the book is on relatingthe properties of ice and water to their structures. Some background material in physical chemistry has been included in order to ensure that the material is accessible to readers in fields such as biology, biochemistry, and geology, as well as to chemists and physicists.

Life's Matrix

Life's Matrix PDF Author: Philip Ball
Publisher: Univ of California Press
ISBN: 9780520230088
Category : Nature
Languages : en
Pages : 444

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Book Description
In "Life's Matrix", Philip Ball writes of water's origins, history, and unique physical character. His provocative exploration of water on other planets highlights the possibilities of life beyond Earth. It also examines the grim realities of depletion of natural resources and its effects on the availability of water in the 21st century. Illustrations.

Theory of Solutions

Theory of Solutions PDF Author: John G. Kirkwood
Publisher: CRC Press
ISBN: 9780677010304
Category : Science
Languages : en
Pages : 320

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Book Description


The Weak Hydrogen Bond

The Weak Hydrogen Bond PDF Author: Gautam R. Desiraju
Publisher: International Union of Crystal
ISBN: 9780198509707
Category : Hydrogen bonding
Languages : en
Pages : 530

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Book Description
The weak or non-conventional hydrogen bond has been subject of intense scrutiny over recent years in several fields, in particular in structural chemistry, structural biology, and also in the pharmaceutical sciences. There is today a large body of experimental and theoretical evidenceconfirming that hydrogen bonds like C-H...O, N-H...pi, C-H...pi and even bonds like O-H...metal play distinctive roles in molecular recognition, guiding molecular association, and in determining molecular and supramolecular architectures. The relevant compound classes include organometalliccomplexes, organic and bio-organic systems, and also DNA and proteins. The book provides a comprehensive assessment of this interaction type, and is of interest to all those interested in structural and supramolecular science, including fields as crystal engineering and drug design.

Nuclear Magnetic Resonance

Nuclear Magnetic Resonance PDF Author: G A Webb
Publisher: Royal Society of Chemistry
ISBN: 1847553702
Category : Science
Languages : en
Pages : 436

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Book Description
As a spectroscopic method, Nuclear Magnetic Resonance (NMR) has seen spectacular growth over the past two decades, both as a technique and in its applications. Today the applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules which is covered in two reports: "NMR of Proteins and Acids" and "NMR of Carbohydrates, Lipids and Membranes". For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an in valuable source of current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.