Molecular Dynamics

Classical and Quantum Molecular Dynamics in NMR Spectra  eBooks & eLearning

Posted by AvaxGenius at May 25, 2018
Classical and Quantum Molecular Dynamics in NMR Spectra

Classical and Quantum Molecular Dynamics in NMR Spectra by Sławomir Szymański
English | PDF,EPUB | 2018 | 405 Pages | ISBN : 3319907808 | 13.79 MB

The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theoretical aspects, involving in particular intermolecular processes in solution, and molecular symmetry issues. The Liouville super-operator formalism is briefly introduced and used wherever it is beneficial for the transparency of presentation. The proposed formal descriptions of the discussed problems are sufficiently detailed to be implemented on a computer. Practical applications of the theory in solid- and liquid-phase studies are illustrated with appropriate experimental examples, exposing the potential of the lineshape method in elucidating molecular dynamics.
Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy (repost)

Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy by Lichang Wang
English | 2012 | ISBN: 9535104438 | PDF | 424 pages | 26,6 MB

The Art of Molecular Dynamics Simulation by D. C. Rapaport (Repost)  eBooks & eLearning

Posted by tvladb at April 12, 2012
The Art of Molecular Dynamics Simulation by D. C. Rapaport (Repost)

The Art of Molecular Dynamics Simulation by D. C. Rapaport (Repost)
Publisher: Cambridge University Press; 2 edition (April 19, 2004) | ISBN: 0521825687 | Pages: 564 | PDF | 7 MB

In this Second Edition an extensive series of detailed case studies introduces the reader to solutions to a variety of problems connected with the way molecular interactions and motions determine the properties of matter. The methods are widely used in studying phenomena involving everything from the simplest of liquids to highly complex molecules such as proteins. In addition to a significant amount of new material, this edition features completely rewritten software.
Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications

Michael Griebel, Stephan Knapek, Gerhard Zumbusch,
"Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications"

Springer; 1 edition (September 14, 2007) | ISBN:3540680942 | 476 pages | PDF | 9,4 Mb
Trends in Nanoscale Mechanics: Mechanics of Carbon Nanotubes, Graphene, Nanocomposites and Molecular Dynamics (Repost)

Trends in Nanoscale Mechanics: Mechanics of Carbon Nanotubes, Graphene, Nanocomposites and Molecular Dynamics By Vasyl Harik
2014 | 254 Pages | ISBN: 9401792623 | PDF | 7 MB

Studies of Photoinduced Molecular Dynamics Using a Fast Imaging Sensor (Repost)  eBooks & eLearning

Posted by insetes at Dec. 20, 2017
Studies of Photoinduced Molecular Dynamics Using a Fast Imaging Sensor (Repost)

Studies of Photoinduced Molecular Dynamics Using a Fast Imaging Sensor By Craig S. Slater
2015 | 202 Pages | ISBN: 3319245155 | PDF | 12 MB
Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics(Repost)

Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics by Alexander Heinecke
English | 2015 | ISBN: 331917147X | 76 Pages | PDF | 5.43 MB

Numerical Simulation in Molecular Dynamics [Repost]  eBooks & eLearning

Posted by tanas.olesya at Nov. 3, 2016
Numerical Simulation in Molecular Dynamics [Repost]

Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications by Michael Griebel
English | 9 Aug. 2007 | ISBN: 3540680942 | 472 Pages | PDF | 8 MB

This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique.

The Art of Molecular Dynamics Simulation, Second Edition (Repost)  eBooks & eLearning

Posted by step778 at Aug. 30, 2016
The Art of Molecular Dynamics Simulation, Second Edition (Repost)

D. C. Rapaport, "The Art of Molecular Dynamics Simulation, Second Edition"
2004 | pages: 564 | ISBN: 0521825687 | PDF | 2,1 mb

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Repost)  eBooks & eLearning

Posted by step778 at Aug. 26, 2016
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Repost)

Dominik Marx, Jürg Hutter, "Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods"
2009 | pages: 580 | ISBN: 0521898633 | PDF | 3,2 mb