Chemical Reactivity in Quantum Mechanics and Information Theory
introduces a thermodynamic-like description of molecular systems
and provides an objective treatment of their fragments. The book
formulates adequate entropic tools for probing in chemical terms
and the electronic structure of molecules and rationalizing
reactivity principles. It covers the information origins of
chemical bonds, covalent/ionic composition, trends in molecular
stability and reactivity, equilibrium polarizations and
charge-transfer reconstructions of reactive complexes, as well as
the phase/current promotions of molecular substrates. In addition,
the book introduces a precise descriptor of molecular fragments and
clarifies mostly intuitive semantics of several chemical concepts.
Readers will find a precise and unbiased description of chemical
reactivity phenomena in Donor-Acceptor systems in terms of quantum
states and generalized concepts of Information/Communication
theories.
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