Molecular Dynamics: Theory, Kinetics and Implementation (Chemical Engineering Methods and Technology: Computer Science, Technology and Applications)
Daniel E. Garcia, Paige J. Green ,
ISBN 10: 1620815451 ISBN 13: 9781620815458
Published by Nova Novinka, 2012
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Soft cover
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Synopsis:
Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. This book presents current research on the theory, kinetics and implementation of molecular dynamics. Topics discussed in this compilation include the molecular dynamics of proteins; molecular dynamics simulations on the extraction of fluid transport properties at the nanoscale; investigation of structural properties of drug-metabolising enzymes using molecular dynamics simulation; double-pulse laser control of ultrafast optical Kerr effect in liquid; ZnO nano-structures for biosensing; and molecular dynamics simulations of liquid and ionic solvation of carbon tetrachloride.
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Bibliographic Details
Title: Molecular Dynamics: Theory, Kinetics and ...
Publisher: Nova Novinka
Publication Date: 2012
Binding: Soft cover
Condition: Brand New