Charge densities and crystal engineering

Mark Spackman

doi:10.1007/978-90-481-3836-4_16

Charge densities and crystal engineering

Mark Spackman

School of Molecular Sciences

Research output: Chapter in Book/Conference paper › Chapter › peer-review

10 Citations (Scopus)

Abstract

This chapter discusses the ways in which the present techniques and tools of charge density analysis can contribute to the burgeoning field of crystal engineering. The principal focus is on use of theoretical and experimental charge densities, Hirshfeld surface analysis, as well as the calculation of energies of intermolecular interactions and their application to halogen bonded systems.

Original language	English
Title of host publication	Modern Charge Density Analysis
Editors	Carlo Gatti, Piero Macchi
Place of Publication	New York
Publisher	Springer
Chapter	16
Pages	553-572
ISBN (Electronic)	9789048138364
ISBN (Print)	9789048138357
DOIs	https://doi.org/10.1007/978-90-481-3836-4_16
Publication status	Published - 2012

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10.1007/978-90-481-3836-4_16

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title = "Charge densities and crystal engineering",

abstract = "This chapter discusses the ways in which the present techniques and tools of charge density analysis can contribute to the burgeoning field of crystal engineering. The principal focus is on use of theoretical and experimental charge densities, Hirshfeld surface analysis, as well as the calculation of energies of intermolecular interactions and their application to halogen bonded systems.",

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AB - This chapter discusses the ways in which the present techniques and tools of charge density analysis can contribute to the burgeoning field of crystal engineering. The principal focus is on use of theoretical and experimental charge densities, Hirshfeld surface analysis, as well as the calculation of energies of intermolecular interactions and their application to halogen bonded systems.

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DO - 10.1007/978-90-481-3836-4_16

M3 - Chapter

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EP - 572

BT - Modern Charge Density Analysis

A2 - Gatti, Carlo

A2 - Macchi, Piero

PB - Springer

CY - New York

ER -

Charge densities and crystal engineering

Abstract

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