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2009, ISBN 9780521898638, Volume 9780521898638, x, 567
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics... 
Molecular dynamics - Computer simulation | Molecular dynamics
Book
Developmental dynamics, ISSN 1058-8388, 1992
Journal
2005, ISBN 9780521842761, Volume 9780521842761, xiv, 554
Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level... 
Molecular dynamics | Chemical reaction, Conditions and laws of | Chemistry
Book
2009, ISBN 9783527320189, xxiii, 419
The first book dedicated to this new and powerful computational method begins with a comprehensive description of MCTDH and its theoretical background. There... 
MCTDH | Quantum theory | Computational Chemistry & Molecular Modeling
Book
2009, ISBN 9780199235346, xi, 641
Amorphous condensed matter can exhibit complex motions on time scales which extend up to those relevant for the functioning of biomaterials. The book presents... 
Viscosity | Molecular dynamics | Mode-coupling theory | Equations of motion | Complex fluids
Book
2009, 4th ed., ISBN 9048130743, xviii, 483
This is the 4th edition of the highly acclaimed monograph on Extended Irreversible Thermodynamics, a theory that goes beyond the classical theory of irreversible processes... 
Irreversible processes | Physics | Nonequilibrium thermodynamics
Book
The Journal of Physical Chemistry B, ISSN 1520-6106, 12/2013, Volume 117, Issue 48, pp. 15176 - 15183
.... In this work, we present a molecular dynamics simulation study for this material covering an extended temperature range, from 175 to 500 K... 
CRYSTALS | CHEMISTRY, PHYSICAL | FORCE-FIELD | IMIDAZOLIUM | IONIC LIQUIDS | ELECTROLYTES | CHLORIDE | CATIONS | Molecular dynamics | Phosphorus compounds | Chemical properties | Structure | Analysis | Molecular structure | Phase transformations | Simulation | Dynamics | Cations | Devices | Dynamical systems | Physics - Chemical Physics
Journal Article
2006, ISBN 0691118434, Volume 9781400840960, xxiii, 329
From controlling disease outbreaks to predicting heart attacks, dynamic models are increasingly crucial for understanding biological processes... 
Biology | Mathematical models | Biology-Mathematical models
Book
Journal of biomolecular structure & dynamics, ISSN 0739-1102, 1983
Journal
2013, ISBN 3527410082, Volume 9783527410088, xiii, 449
Meeting the need for a work that brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to... 
Molecular spectroscopy | Excited state chemistry | Spectra | Condensed matter | Quantum theory
Book
The Journal of Physical Chemistry B, ISSN 1520-6106, 04/2018, Volume 122, Issue 14, pp. 4169 - 4178
... the molecular factors that make the material faster or slower in responding to the stimulus. To this end, it is necessary to study the dynamic adaptive properties at submolecular resolution, which is difficult at an experimental level... 
MOLECULAR-DYNAMICS | RAFTS | SUPERRESOLUTION MICROSCOPY | BENZENE-1,3,5-TRICARBOXAMIDE | CHEMISTRY, PHYSICAL | FORCE-FIELD | CELL-MEMBRANES | DIVERSITY | MODEL | EXCHANGE | WATER
Journal Article
2010, 1. Aufl., ISBN 9783527321223, x, 201
This long-awaited first book on this exciting new field in organic and supramolecular chemistry explains the fundamentals as well as possible applications of... 
Combinatorial chemistry | Nursing & Ancillary Services | Chemistry | Chemistry, Organic
Book
Journal of Chemical Theory and Computation, ISSN 1549-9618, 04/2018, Volume 14, Issue 4, pp. 2076 - 2083
.... Molecular dynamics (MD) simulations enabling atomistic and femtosecond resolutions simultaneously are a well-established tool of computational chemistry which can provide useful insights into investigated systems... 
EXFOLIATION | DENSITY | GRAPHENE QUANTUM DOTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MEMBRANES | CHEMISTRY, PHYSICAL | FORCE-FIELD | NANOTUBES | GRAPHITE | NANODOTS | POTENTIALS | ADSORPTION
Journal Article
2011, Elsevier insights, ISBN 9780123851482, x, 322
This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in... 
Computer simulation | Molecular dynamics | Intermolecular forces | Chemistry | Molecular dynamics - Computer simulation
Book