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Bibliografias temáticas / Molecular dynamics / Livros

Livros sobre o tema "Molecular dynamics"

Siga este link para ver outros tipos de publicações sobre o tema: Molecular dynamics.

Autor: Grafiati

Publicado: 4 de junho de 2021

Última modificação: 22 de junho de 2024

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1

Hoover, William G. Molecular dynamics. Berlin: Springer-Verlag, 1986.

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2

Leimkuhler, Ben, e Charles Matthews. Molecular Dynamics. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-16375-8.

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3

Goodfellow, Julia M., ed. Molecular Dynamics. London: Macmillan Education UK, 1991. http://dx.doi.org/10.1007/978-1-349-11044-5.

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4

Santamaria, Ruben. Molecular Dynamics. Cham: Springer Nature Switzerland, 2023. http://dx.doi.org/10.1007/978-3-031-37042-7.

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5

S, Child M., e Royal Society (Great Britain), eds. Molecular Rydberg dynamics. London: Imperial College Press, 1999.

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6

Vrakking, Marc J. J., e Franck Lepine, eds. Attosecond Molecular Dynamics. Cambridge: Royal Society of Chemistry, 2018. http://dx.doi.org/10.1039/9781788012669.

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7

Yonezawa, Fumiko, ed. Molecular Dynamics Simulations. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84713-4.

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8

Gatti, Fabien, ed. Molecular Quantum Dynamics. Berlin, Heidelberg: Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-45290-1.

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9

Sone, Yoshio, ed. Molecular Gas Dynamics. Boston, MA: Birkhäuser Boston, 2007. http://dx.doi.org/10.1007/978-0-8176-4573-1.

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10

Levine, Raphael D. Molecular reaction dynamics. Cambridge, UK: Cambridge University Press, 2005.

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11

Shuichi, Nosé, ed. Molecular dynamics simulations. Kyoto: Progress of theoretical physics, 1991.

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12

M, Goodfellow Julia, ed. Molecular dynamics: Applications in molecular biology. Basingstoke, Hampshire: Macmillan, 1991.

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13

M, Goodfellow Julia, ed. Molecular dynamics: Applications in molecular biology. Boca Raton, Fla: CRC Press, 1990.

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14

Raymond, Daudel, ed. Structure and dynamics of molecular systems. Dordrecht, Holland: D. Reidel, 1985.

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15

Op den Kamp, Jos A. F., ed. Molecular Dynamics of Biomembranes. Berlin, Heidelberg: Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/978-3-642-61126-1.

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16

Laganà, Antonio, e Antonio Riganelli, eds. Reaction and Molecular Dynamics. Berlin, Heidelberg: Springer Berlin Heidelberg, 2000. http://dx.doi.org/10.1007/978-3-642-57051-3.

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17

Tedeschi, Henry. Cell physiology: Molecular dynamics. 2^a ed. Dubuque, Iowa: Wm. C. Brown Publishers, 1993.

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18

Toshio, Yanagida, e Ishii Yoshiharu, eds. Single molecule dynamics in life science. Weinheim: Wiley-VCH, 2009.

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19

Toshio, Yanagida, e Ishii Yoshiharu, eds. Single molecule dynamics in life science. Weinheim: Wiley-VCH, 2009.

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20

Boon, Jean-Pierre. Molecular hydrodynamics. New York: Dover Publications, 1991.

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21

M, Law Mark, Balint-Kurti Gabriel G e Collaborative Computational Project No.6., eds. Photodissociation dynamics. Warrington: Collaborative Computational Project on Heavy Particle Dynamics (CCP6), 1994.

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22

Greenspan, Donald. Molecular cavity flow. Arlington: Dept. of Mathematics, University of Texas at Arlington, 1998.

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23

1921-, Orville-Thomas W. J., Ratajczak H, Rao, C. N. R. 1934- e Indian Academy of Sciences, eds. Topics in molecular interactions. Amsterdam: Elsevier, 1985.

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24

1921-, Orville-Thomas W. J., Ratajczak H e Rao, C. N. R. 1934-, eds. Topics in molecular interactions. Amsterdam: Elsevier, 1985.

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25

Haile, J. M. Molecular dynamics simulation: Elementary methods. New York: Wiley, 1992.

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26

Valkunas, Leonas, Darius Abramavicius e Tomáš Mančal. Molecular Excitation Dynamics and Relaxation. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527653652.

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27

Levi, Gianluca. Photoinduced Molecular Dynamics in Solution. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-28611-8.

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28

Hollas, J. M., e D. Phillips, eds. Jet Spectroscopy and Molecular Dynamics. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-1314-4.

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29

Heinecke, Alexander, Wolfgang Eckhardt, Martin Horsch e Hans-Joachim Bungartz. Supercomputing for Molecular Dynamics Simulations. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-17148-7.

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30

Broeckhove, J., e L. Lathouwers, eds. Time-Dependent Quantum Molecular Dynamics. Boston, MA: Springer US, 1992. http://dx.doi.org/10.1007/978-1-4899-2326-4.

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31

Michael, Hollas J., e Phillips D, eds. Jet spectroscopy and molecular dynamics. London: Blackie Academic & Professional, 1995.

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32

Kryschi, Carola. Relaxation dynamics in molecular crystals. Berlin: Verlag Köster, 1994.

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33

1955-, Broeckhove Jan, Lathouwers Luc 1951-, North Atlantic Treaty Organization. Scientific Affairs Division. e NATO Advanced Research Workshop on Time-dependent Quantum Molecular Dynamics: Theory and Experiment (1992 : Snowbird, Utah), eds. Time-dependent quantum molecular dynamics. New York: Plenum Press, 1992.

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34

Allen, Michael P., e Dominic J. Tildesley. Molecular dynamics. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0003.

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Resumo:

This chapter introduces the classical equations of motion for a system of molecules, and describes their solution by stable, accurate, time-stepping algorithms. Simple atomic systems, rigid molecules, and flexible molecules with and without constraints, are treated, with examples of program code. Quaternions are introduced as useful parameters for solving the rigid-body equations of motion of molecules. A simple example of a multiple timestep algorithm is given, and there is a brief summary of event-driven (hard-particle) dynamics. Examples of constant-temperature molecular dynamics using stochastic and deterministic methods are presented, and the corresponding constant-pressure molecular dynamics methods for fixed and variable box-shape are described. The molecular dynamics method is extended to the treatment of polarizable systems, and dynamical simulation of the grand canonical ensemble is mentioned.

35

Molecular Dynamics. Berlin/Heidelberg: Springer-Verlag, 1986. http://dx.doi.org/10.1007/bfb0020009.

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36

Vakhrushev, Alexander, ed. Molecular Dynamics. InTech, 2018. http://dx.doi.org/10.5772/intechopen.70978.

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37

Hoover, William G. Molecular Dynamics. Springer, 2013.

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38

Vakhrushev, Alexander. Molecular Dynamics. IntechOpen, 2018.

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39

Stefaniu, Amalia, ed. Molecular Docking and Molecular Dynamics. IntechOpen, 2019. http://dx.doi.org/10.5772/intechopen.77898.

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40

Stefaniu, Amalia. Molecular Docking and Molecular Dynamics. IntechOpen, 2019.

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41

Allen, Michael P., e Dominic J. Tildesley. Nonequilibrium molecular dynamics. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0011.

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This chapter explains some of the fundamental issues associated with applying perturbations to a molecular dynamics simulation, along with practical details of methods for studying systems out of equilibrium. The main emphasis is on fluid flow and viscosity measurements. Spatially homogeneous perturbations are described to study shear and extensional flow. Non-equilibrium methods are applied to the study of heat flow and the calculation of the thermal conductivity. Issues of thermostatting, and the modelling of surface-fluid interactions for inhomogeneous systems, are discussed. The measurement of free energy changes through non-equilibrium work expressions such as those of Jarzynski and Crooks is also explained.

42

Molecular Dynamics Simulation. Elsevier, 2022. http://dx.doi.org/10.1016/c2017-0-04711-0.

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43

Fukumura, Hiroshi, Masahiro Irie, Yasuhiro Iwasawa, Hiroshi Masuhara e Kohei Uosaki, eds. Molecular Nano Dynamics. Wiley, 2009. http://dx.doi.org/10.1002/9783527627820.

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44

Child, M. S. Molecular Rydberg Dynamics. PUBLISHED BY IMPERIAL COLLEGE PRESS AND DISTRIBUTED BY WORLD SCIENTIFIC PUBLISHING CO., 1999. http://dx.doi.org/10.1142/p081.

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45

Molecular Dynamics Simulation. MDPI, 2014. http://dx.doi.org/10.3390/books978-3-906980-66-9.

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46

Child, M. S. Molecular Rydberg Dynamics. World Scientific Publishing Company, 2000.

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47

Molecular Nano Dynamics. Wiley-VCH Verlag GmbH, 2009.

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48

Galli, Guilia, e Francois Gygi. Quantum Molecular Dynamics. Cambridge University Press, 2004.

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49

Velinova, Maria. Molecular Dynamics Simulations. Arcler Education Inc, 2017.

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50

Levine, Raphael D. Molecular Reaction Dynamics. Cambridge University Press, 2005.

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