Bookcover of Hydrogen-bonded systems under electric fields
Booktitle:

Hydrogen-bonded systems under electric fields

LAP LAMBERT Academic Publishing (2016-10-13 )

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ISBN-13:

978-3-659-96901-0

ISBN-10:
365996901X
EAN:
9783659969010
Book language:
English
Blurb/Shorttext:
Computer simulations rule our lives nowadays. From the scientific perspective, they allow for the knowledge of the most intimate details of matter at a sub-atomic (quantum) level both at a molecular and macroscopic level. When Hydrogen-bonded systems are subject to the action of strong electric fields, peculiar phenomena occur. These have a huge impact in our daily lives since, on one hand, most of the biochemical processes occur in water environments and in the presence of local electric fields and, on the other hand, many technological devices exploit molecular dissociation and proton transfer in order to produce "clean" energy from simple compounds (i.e., molecular hydrogen, methanol, etc.). Through the most advanced computing facilities, the full treatment of the fundamental field-induced processes of molecular dissociation and proton transfer is nowadays affordable and has led to draw a defined sketch of these phenomena with a molecular resolution, a fact almost unthinkable up to few years ago.
Publishing house:
LAP LAMBERT Academic Publishing
Website:
https://www.lap-publishing.com/
By (author) :
Giuseppe Cassone
Number of pages:
120
Published on:
2016-10-13
Stock:
Available
Category:
Physical chemistry
Price:
39.90 €
Keywords:
proton transfer, Electric Fields, H-bonds, Protolysis, Electric-field driven chemical reactions, Ab initio Molecular Dynamics, Metadynamics

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