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Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations 2004 ed. [Pehme köide]

  • Formaat: Paperback / softback, 548 pages, kõrgus x laius: 244x170 mm, kaal: 1790 g, XII, 548 p., 1 Paperback / softback
  • Sari: NATO Science Series II: Mathematics, Physics and Chemistry 133
  • Ilmumisaeg: 31-May-2004
  • Kirjastus: Springer-Verlag New York Inc.
  • ISBN-10: 1402018479
  • ISBN-13: 9781402018473
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  • Formaat: Paperback / softback, 548 pages, kõrgus x laius: 244x170 mm, kaal: 1790 g, XII, 548 p., 1 Paperback / softback
  • Sari: NATO Science Series II: Mathematics, Physics and Chemistry 133
  • Ilmumisaeg: 31-May-2004
  • Kirjastus: Springer-Verlag New York Inc.
  • ISBN-10: 1402018479
  • ISBN-13: 9781402018473
Teised raamatud teemal:
Proceedings of the NATO Advanced Study Institute, Rhodes, Greece from 6 to 15 September 2002

The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.

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Springer Book Archives
Preface vii
Acknowledgments xi
Intermolecular interactions and cooperative effects from electronic structure calculations: An effective means for developing interaction potentials for condensed phase simulations
1(16)
Sotiris S. Xantheas
Models in theory of molecular liquid mixtures: Structure, Dynamics and physicochemical properies
17(24)
V. A. Durov
Classical versus quantum mechanical simulations: The accuracy of computer experiments in solution chemistry
41(12)
B. M. Rode
C. F. Schwenk
B. R. Randolf
Basic concepts and trends in ab initio molecular dynamics
53(40)
Mark E. Tuckerman
Concepts of ionic solvation
93(18)
Hartmut Krienke
Real time visualizing of atomic motions in dense phases
111(18)
S. Bratos
J-Cl.Leicknam
F. Mirloup
R. Vuilleumier
G. Gallot
M. Wulff
A. Plech
S. Pommeret
Reverse Monte Carlo analyses of diffraction data on molecular liquids
129(14)
L. Pusztai
Structural change and nucleation characteristics of water/ice in confined geometry
143(14)
John Dore
Beau Webber
Dan Montague
Thomas Hansen
Solvation structure of chloride and iodide ions studied by means of EXAFS using a compact synchrotron radiation source
157(10)
K. Ozutsumi
H. Ohtaki
Ultrasonically induced birefringence in liquids and solutions
167(26)
H. Nomura
T. Matsuoka
S. Koda
Novel approaches in spectroscopy of interparticle interactions. Vibrational line profiles and anomalous non-coincidence effects
193(36)
S.A. Kirillov
Picosecond dynamic processes of molecular liquids in confined spaces. A review of results in porous glasses
229(20)
Jack Yarwood
Photoinduced redox processes in phthalocyanine derivatives by resonance Raman Spectroscopy and time resolved techniques
249(16)
H. Abramczyk
I. Szymczyk
Dielectric Spectroscopy of Solutions
265(24)
Richard Buchner
Dynamics in intra-molecular polymer mixtures
289(6)
P. Holmqvist
G. Fytas
Visco-elastic behavior and small angle scattering of complex fluids
295(10)
H. Versmold
S. Musa
H. Kubetzki
Computer simulation studies of solvation dynamics in mixtures
305(18)
Branka M. Ladanyi
Using simulations to study vibrational relaxation of molecules in liquids
323(20)
R.M. Lynden-Bell
F.S. Zhang
Computational methods for analyzing the intermolecular resonant vibrational interactions in liquids and the noncoincidence effect of vibrational spectra
343(18)
Hajime Torii
Multipole-induced dipole contributions to the far-infrared spectra of diatomic molecules in non-polar solvents
361(26)
A. Medina
J.M.M. Roco
A. Calvo Hernandez
S. Velasco
Recent advances in the understanding of hydrophobic and hydrophilic effects: A theoretical and computer simulation perspective
387(10)
Ricardo L. Mancera
Michalis Chalaris
Jannis Samios
Molecular simulations of Nafion membranes in the presence of polar solvents
397(30)
D.A. Mologin
P.G. Khalatur
A.R. Khokhlov
Computer simulation of mesogens with ab initio interaction potentials: An application to oligophenyls
427(28)
I. Cacelli
G. Cinacchi
G. Prampolini
A. Tani
Phase transformations and orientational ordering in chemically disordered polymers - a modern primer
455(30)
Lorin Gutman
Eugene Shakhnovich
Conformational Transitions in Proteins and Membranes
485(18)
Jeremy C. Smith
Zoe Cournia
Antoine Taly
Alexander L. Tournier
Dan Mihailescu
G. Matthias Ullmann
Structure, thermodynamics and critical properties of ionic fluids
503(36)
Wolffram Schroer
Hermann Weingartner
Index 539