The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling.
Theoretical Aspects and Computer Modeling of the Molecular Solid State
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The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling.
Molecular computing is a rapidly growing subarea of natural computing. On the one hand, molecular computing is concerned with the use of bio-molecules for the purpose of actual computations while, on...
During the first week of September 1999, the Second EvoNet Summer School on Theoretical Aspects of Evolutionary Computing was held at the Middelheim cam pus of the University of Antwerp, Belgium...
This volume constitutes the proceedings of the Fourth International Symposium on Theoretical Aspects of Computer Software (TACS 2001) held at Tohoku U- versity, Sendai, Japan in October 2001. The...
An invaluable introduction to the developing field of molecular assemblies in the solid state which surveys several areas of current research interest. The interdisciplinary nature of this topic is...
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