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MODELLING THE H-BOND BY CRYSTALLOGRAPHIC METHODS

Gastone Gilli and Paola Gilli

in The Nature of the Hydrogen Bond: Outline of a Comprehensive Hydrogen Bond Theory

Published in print:
2009
Published Online:
September 2009
ISBN:
9780199558964
eISBN:
9780191720949
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199558964.003.0004
Subject:
Physics, Crystallography: Physics

Crystallographic databases collect some 300,000 structures, tens of thousands including one or more H-bonds. This impressive archive take in all varieties of inter- and intra-molecular H-bonds of any ... More


Correlation studies in organic solids

ANGELO GAVEZZOTTI

in Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids

Published in print:
2006
Published Online:
January 2010
ISBN:
9780198570806
eISBN:
9780191718779
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570806.003.0008
Subject:
Physics, Atomic, Laser, and Optical Physics

Structure correlation studies were first carried out on intramolecular parameters, a classic work of which involved molecular deformations at a carbonyl center as a function of the intermolecular ... More


Dimensional reduction in inorganic oxysalts

Sergry V. Krivovichev

in Structural Crystallography of Inorganic Oxysalts

Published in print:
2009
Published Online:
May 2009
ISBN:
9780199213207
eISBN:
9780191707117
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199213207.003.0006
Subject:
Physics, Crystallography: Physics

This chapter analyses ‘structure-composition’ correlations in inorganic oxysalts by means of dimensional reduction. It is shown that the dimensionality of structural units in inorganic oxysalts is ... More


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