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007			cr cnu|||unuuu
008			170221t20172017si ob 001 0 eng d
020			_a9789811035456 _q(electronic bk.)
020			_a9811035458 _q(electronic bk.)
020			_z9789811035449 _q(print)
020			_z981103544X
040			_aN$T _cN$T _dGW5XE _dIDEBK _dOCLCO _dN$T _dYDX _dOCLCF _dNJR _dUAB _dEBLCP _dCOO _dIOG _dAZU _dUWO _dUPM _dXPJ _dMERER _dESU _dZ5A _dOCLCQ _dJBG _dIAD _dICW _dICN _dOTZ _dOCLCQ _dU3W _dES-MaUEC _bspa
050		4	_aTA418.52 _bR333 2017 EB
100	1		_aRaabe, Gabriele, _eautor
245	1	0	_aMolecular simulation studies on thermophysical properties : _bwith application to working fluids _cGabriele Raabe.
264		1	_aSingapore _bSpringer _c[2017]
264		4	_c2017
300			_a1 recurso en línea
336			_aTexto _btxt _2rdacontent
337			_aelectrónico _bc _2rdamedia
338			_arecurso electrónico _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	0		_aMolecular modeling and simulation _x2364-5091
500			_aSpringerLink _bSpringer Engineering eBooks 2017 English+International
504			_aIncluye referencias bibliográficas e índice
505	0		_aIntroduction -- Introduction to Statistical Mechanics -- Monte Carlo Simulations -- Molecular Dynamics Simulations -- Running Molecular Simulations -- Molecular Models (Force Fields) -- Thermophysical and Structural Properties from Molecular Simulation -- Applications of Molecular Simulations to Studies on Working Fluids -- Conclusion and Outlook -- A Force Field Parameters.
520	3		_aThis book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.
650		7	_aMateriales _xThermal properties. _2embne _0(OCoLC)fst01011896 _0 _9138253
856	4	0	_uhttps://go.openathens.net/redirector/universidadeuropea.es?url=http://link.springer.com/10.1007/978-981-10-3545-6 _zAcceso a este recurso digital (usuarios Universidad Europea de Madrid)
988			_aEBOOK, asignarmaterias, EBSPRINGER_2017C
998			_b02/2018 _dz _e- _zSI
999			_c95424 _d95424 _x1