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Spectroscopy and Computation of Hydrogen-Bonded Systems (Hardcover)
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Spectroscopy and Computation of Hydrogen-Bonded Systems (Hardcover)
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Spectroscopy and Computation of Hydrogen-Bonded Systems
Comprehensive spectroscopic view of the state-of the-art in
theoretical and experimental hydrogen bonding research Spectroscopy
and Computation of Hydrogen-Bonded Systems includes diverse
research efforts spanning the frontiers of hydrogen bonding as
revealed through state-of-the-art spectroscopic and computational
methods, covering a broad range of experimental and theoretical
methodologies used to investigate and understand hydrogen bonding.
The work explores the key quantitative relationships between
fundamental vibrational frequencies and hydrogen-bond
length/strength and provides an extensive reference for the
advancement of scientific knowledge on hydrogen-bonded systems.
Theoretical models of vibrational landscapes in hydrogen-bonded
systems, as well as kindred studies designed to interpret intricate
spectral features in gaseous complexes, liquids, crystals, ices,
polymers, and nanocomposites, serve to elucidate the provenance of
spectroscopic findings. Results of experimental and theoretical
studies on multidimensional proton transfer are also presented.
Edited by two highly qualified researchers in the field, sample
topics covered in Spectroscopy and Computation of Hydrogen-Bonded
Systems include: Quantum-mechanical treatments of
tunneling-mediated pathways and molecular-dynamics simulations of
structure and dynamics in hydrogen-bonded systems Mechanisms of
multiple proton-transfer pathways in hydrogen-bonded clusters and
modern spectroscopic tools with synergistic quantum-chemical
analyses Mechanistic investigations of deuterium kinetic isotope
effects, ab initio path integral methods, and molecular-dynamics
simulations Key relationships that exist between fundamental
vibrational frequencies and hydrogen-bond length/strength Analogous
spectroscopic and semi-empirical computational techniques examining
larger hydrogen-bonded systems Reflecting the polymorphic nature of
hydrogen bonding and bringing together the latest experimental and
computational work in the field, Spectroscopy and Computation of
Hydrogen-Bonded Systems is an essential resource for chemists and
other scientists involved in projects or research that intersects
with the topics covered within.
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