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Molecular Electrostatic Potentials

Concepts and Applications

Jezik EngleskiEngleski
Knjiga Tvrdi uvez
Knjiga Molecular Electrostatic Potentials J. S. Murray
Libristo kod: 04612198
Nakladnici Elsevier Science & Technology, studeni 1996
Over the past 25 years, the molecular electrostatic potential has become firmly established as an ef... Cijeli opis
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Over the past 25 years, the molecular electrostatic potential has become firmly established as an effective guide to molecular interactions. With the recent advances in computational technology, it is currently being applied to a variety of important chemical and biological systems. Its range of applicability has expanded from primarily a focus on sites for electrophilic and nucleophilic attack to now include solvent effects, studies of zeolite, molecular cluster and crystal behavior, and the correlation and prediction of a wide range of macroscopic properties. Moreover, the increasing prominence of density functional theory has raised the molecular electrostatic potential to a new stature on a more fundamental conceptual level. It is rigorously defined in terms of the electron density, and has very interesting topological characteristics since it explicitly reflects opposing contributions from the nuclei and the electrons. This volume opens with a survey chapter by one of the original pioneers of the use of the electrostatic potential in studies of chemical reactivity, Jacopo Tomasi. Though the flow of the succeeding chapters is not stringently defined, the overall trend is that the emphasis changes gradually from methodology to applications. Chapters discussing more theoretical topics are placed near the end. Readers will find the wide variety of topics provided by an international group of authors both convincing and useful.

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Informacije o knjizi

Puni naziv Molecular Electrostatic Potentials
Jezik Engleski
Uvez Knjiga - Tvrdi uvez
Datum izdanja 1996
Broj stranica 664
EAN 9780444823533
ISBN 0444823530
Libristo kod 04612198
Težina 1380
Dimenzije 152 x 229 x 37
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