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Modern Charge-Density Analysis (Record no. 28153)

000 -LEADER
fixed length control field 04905nam a22005055i 4500
003 - CONTROL NUMBER IDENTIFIER
control field OSt
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20140310153335.0
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr nn 008mamaa
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 120107s2012 ne | s |||| 0|eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9789048138364
978-90-481-3836-4
050 #4 - LIBRARY OF CONGRESS CALL NUMBER
Classification number QD450-801
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 541.2
Edition number 23
264 #1 -
-- Dordrecht :
-- Springer Netherlands,
-- 2012.
912 ## -
-- ZDB-2-CMS
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Gatti, Carlo.
Relator term editor.
245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE
Title Modern Charge-Density Analysis
Medium [electronic resource] /
Statement of responsibility, etc edited by Carlo Gatti, Piero Macchi.
300 ## - PHYSICAL DESCRIPTION
Extent XXIII, 783p. 229 illus., 181 illus. in color.
Other physical details online resource.
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note A guided tour through modern charge density analysis -- Electron densities and related properties from the ab-initio simulation of crystalline solids -- Modeling and analysing thermal motion in experimental charge density studies -- Spin and the Complementary Worlds of Electron Position and Momentum Densities -- Past, present and future of charge density and density matrix refinements -- Using wavefunctions to get more information out of diffraction experiments -- Local Models for Joint Position and Momentum Density Studies -- Magnetization densities in material science -- Beyond Standard Charge Density Topological Analyses -- On the Interplay Between Real and Reciprocal Space Properties -- Intermolecular interaction energies from experimental charge density studies -- Chemical Information from Charge Density Studies -- Charge density in materials and energy science -- A generic force field based on Quantum Chemical Topology -- Frontier Applications of Experimental Charge Density and Electrostatics  to Bio-Macromolecules -- Charge densities and crystal engineering -- Electron Density Topology of Crystalline Solids at High Pressure -- Bonding changes along solid-solid phase transitions using the Electron Localization Function approach -- Multi-temperature electron density studies -- Transient Charge Density Maps from Femtosecond X-Ray Diffraction -- Charge density and chemical reactions: a unified view from Conceptual DFT.
520 ## - SUMMARY, ETC.
Summary, etc Modern Charge-Density Analysis focuses on state-of-the-art methods and applications of electron-density analysis. It is a field traditionally associated with understanding chemical bonding and the electrostatic properties of matter. Recently, it has also been related to predictions of properties and responses of materials (having an organic, inorganic or hybrid nature as in modern materials and bio-science, and used for functional devices or biomaterials). The first part of the book includes theoretical and methodological chapters which provide a wide ranging and up-to-date overview of the physics behind charge-density distribution and the most advanced methods to model and interpret it (from theory or experiment). In the second part, applications in several fields are presented ranging from Biomacromolecules to Energetic Materials. The effects of external stress (e.g. produced by temperature, pressure or photo-excitation) and the resultant electron-density response are analyzed. Implications for chemistry, biology and material science are described with an outlook on future developments. The ever-growing impact of charge-density analysis on modern fields of research including supramolecular chemistry, crystal engineering, complex magnetic materials, molecular reactivity and recognition is strongly featured. Modern Charge-Density Analysis is inherently multidisciplinary and written for chemists, physicists, crystallographers, material scientists, and biochemists alike. It serves as a useful tool for scientists already working in the field by providing them with a unified view of the multifaceted charge-density world. Additionally, this volume facilitates the understanding of scientists and PhD students planning to enter the field by acquainting them with the most significant and promising developments in this arena.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemistry.
Topical term or geographic name as entry element Chemistry, inorganic.
Topical term or geographic name as entry element Chemistry, Organic.
Topical term or geographic name as entry element Chemistry, Physical organic.
Topical term or geographic name as entry element Crystallography.
Topical term or geographic name as entry element Materials.
Topical term or geographic name as entry element Chemistry.
Topical term or geographic name as entry element Theoretical and Computational Chemistry.
Topical term or geographic name as entry element Crystallography.
Topical term or geographic name as entry element Materials Science, general.
Topical term or geographic name as entry element Organic Chemistry.
Topical term or geographic name as entry element Inorganic Chemistry.
Topical term or geographic name as entry element Physical Chemistry.
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Macchi, Piero.
Relator term editor.
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element SpringerLink (Online service)
773 0# - HOST ITEM ENTRY
Title Springer eBooks
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Display text Printed edition:
International Standard Book Number 9789048138357
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier http://dx.doi.org/10.1007/978-90-481-3836-4
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Item type E-Book
Copies
Price effective from Permanent location Date last seen Not for loan Date acquired Source of classification or shelving scheme Koha item type Damaged status Lost status Withdrawn status Current location Full call number
2014-04-14AUM Main Library2014-04-14 2014-04-14 E-Book   AUM Main Library541.2
Languages: 
English |
العربية