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The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.
The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.
Anna Casamento-Arrigo and Gregory Anthony Stone began their work on "All Red" shortly after the two became neighbors. Little did they realize that they had traveled very similar paths in life. It is said that, 'truth is stranger than fiction.' As fate would have it, Casamento-Arrigo and Stone both had a connection with Jersey City, New Jersey. Casamento-Arrigo grew up there after arriving in America from Sicily, whereas, Stone was born there. The parallels and connections do not end there though. Ironically, Stone's wife Phyllis had lived with her family at 200 Webster Avenue in Jersey City-a home which would later be occupied by Casamento-Arrigo and her family. The similarities didn't end there though, as it was also discovered that Stone went to school with and was a friend of one of Casamento-Arrigo's relatives by marriage. The two thus accepted this gift of fate and, indeed, welcomed it and the path that would eventually lead them to the creation of "All Red." Moreover, Casamento-Arrigo and Stone are also both stroke survivors who share a passion for all forms of self-expression. Together, they have, as fate would have it, used words to paint pictures and created pictures that spawned poems. It is within the pages of this book that you will experience exactly how passion may serve as an impetus to finding one's own calling and unleash that inner voice that speaks to you as well
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