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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
Developmental dynamics, ISSN 1058-8388, 1992
Journal
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
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
Book
2009, International series of monographs on physics, ISBN 9780199235346, Volume no. 143, xi, 641
The book presents a self-contained exposition of the mode-coupling theory for the evolution of glassy dynamics in liquids. This theory is based on polynomial... 
Viscosity | Molecular dynamics | Mode-coupling theory | Equations of motion | Complex fluids | condensed matter physics | Bifurcation Singularities | Cage Effect | Leading-Order Asymptotic Contributions | Mode-Coupling Polynomial | Glassy Dynamics | Localization | Glass Transitions | Mode-Coupling Equations of Motion
Book
2005, ISBN 9780521842761, Volume 9780521842761, xiv, 554
Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions... 
Molecular dynamics | Chemical reaction, Conditions and laws of | Chemistry
Book
2009, International series of monographs on physics, ISBN 9780199235346, Volume no. 143, xi, 641
The book presents a self-contained exposition of the mode-coupling theory for the evolution of glassy dynamics in liquids. This theory is based on polynomial... 
Viscosity | Molecular dynamics | Mode-coupling theory | Equations of motion | Complex fluids | condensed matter physics | Bifurcation Singularities | Cage Effect | Leading-Order Asymptotic Contributions | Mode-Coupling Polynomial | Glassy Dynamics | Localization | Glass Transitions | Mode-Coupling Equations of Motion
Book
The Journal of Physical Chemistry B, ISSN 1520-6106, 12/2013, Volume 117, Issue 48, pp. 15176 - 15183
Diethyl(methyl)(isobutyl)phosphonium hexafluorophosphate, [PF6][P1,2,2,4], is an organic ionic plastic crystal with potential uses as a solid electrolyte in... 
ANIONS | ATOM FORCE-FIELD | HEXAFLUOROPHOSPHATE | CHEMISTRY, PHYSICAL | PLASTIC CRYSTAL ELECTROLYTES | IMIDAZOLIUM | IONIC LIQUIDS | BATTERIES | 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
Journal of Chemical Theory and Computation, ISSN 1549-9618, 04/2018, Volume 14, Issue 4, pp. 2076 - 2083
Carbon dots (CDs), one of the youngest members of the carbon nanostructure family, are now widely experimentally studied for their tunable fluorescence... 
EXFOLIATION | DENSITY | GRAPHENE QUANTUM DOTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MEMBRANES | CHEMISTRY, PHYSICAL | FORCE-FIELD | NANOTUBES | GRAPHITE | NANODOTS | POTENTIALS | ADSORPTION
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 04/2018, Volume 122, Issue 14, pp. 4169 - 4178
The rational design of supramolecular polymers that can adapt or respond in time to specific stimuli in a controlled way is interesting for many applications,... 
MOLECULAR-DYNAMICS | RAFTS | SUPERRESOLUTION MICROSCOPY | BENZENE-1,3,5-TRICARBOXAMIDE | CHEMISTRY, PHYSICAL | FORCE-FIELD | CELL-MEMBRANES | DIVERSITY | MODEL | EXCHANGE | WATER
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 05/2018, Volume 148, Issue 19, p. 193809
Journal Article
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... 
Molecular dynamics
Book