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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


OUTLINE OF A NOVEL TRANSITION-STATE H-BOND THEORY (TSHBT)

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/9780199558964.003.0007
Subject:
Physics, Crystallography: Physics

Starting from the concepts of empirical law, model, and scientific theory, a H-bond theory is defined as the encoding of its empirical laws in terms of a more fundamental theory, F. Though both VB ... More


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