Libros sobre el tema "Ab Initio Molecular Dyamics"
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J, Hehre Warren, ed. Ab initio molecular orbital theory. New York: Wiley, 1986.
Buscar texto completoHinchliffe, Alan. Ab initio determination of molecular properties. Bristol: A. Hilger, 1987.
Buscar texto completoSearles, Debra J. y Ellak I. von Nagy-Felsobuki. Ab Initio Variational Calculations of Molecular Vibrational-Rotational Spectra. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-662-05561-8.
Texto completoSahli, Beat. Ab initio molecular dynamics simulation of diffusion in silicon. Konstanz: Hartung-Gorre, 2007.
Buscar texto completoSearles, D. Ab initio variational calculations of molecular vibrational-rotational spectra. Berlin: Springer-Verlag, 1994.
Buscar texto completoJürg, Hutter, ed. Ab initio molecular dynamics: Basic theory and advanced methods. Cambridge: Cambridge University Press, 2009.
Buscar texto completoSearles, D. Ab initio variational calculations of molecular vibrational-rotational spectra. Berlin: Springer-Verlag, 1993.
Buscar texto completoDykstra, Clifford E. AB initio calculation of the structures and properties of molecules. Amsterdam: Elsevier, 1988.
Buscar texto completoLeeuwen, P. W. N. M. van, Morokuma K. 1934- y Lenthe Joop H. van, eds. Theoretical aspects of homogeneous catalysis: Applications of ab initio molecular orbital theory. Dordrecht: Kluwer Academic, 1995.
Buscar texto completoKim, Gapsue. Ab initio calculation of the excited states of some diatomic molecular ions. [s.l.]: typescript, 1997.
Buscar texto completoRoy, Kari y Csizmadia I. G, eds. Handbook of Gaussian basis sets: A compendium for ab-initio molecular orbital calculations. Amsterdam: Elsevier, 1985.
Buscar texto completoSchaefer, Henry F. Quantum chemistry: The development of ab initio methods in molecular electronic structure theory. Mineola, NY: Dover Publications, 2004.
Buscar texto completoSchaefer, Henry F. Quantum chemistry: The development of ab initio methods in molecular electronic structure theory. Oxford: Clarendon Press, 1985.
Buscar texto completoPoirier, Raymond. Handbook of Gaussian basis sets: A compendium for Ab-initio molecular orbital calculations. Amsterdam: Elsevier, 1985.
Buscar texto completoY, Yamaguchi, ed. A New dimension to quantum chemistry: Analytic derivative methods in ab initio molecular electronic structure theory. New York: Oxford University Press, 1994.
Buscar texto completoUnited States. National Aeronautics and Space Administration., ed. A correlated ab initio study of linear carbon-chain radicals C(sub n)H (n=2-7). [Washington, DC: National Aeronautics and Space Administration, 1995.
Buscar texto completoUnited States. National Aeronautics and Space Administration., ed. A correlated ab initio study of linear carbon-chain radicals C(sub n)H (n=2-7). [Washington, DC: National Aeronautics and Space Administration, 1995.
Buscar texto completoUnited States. National Aeronautics and Space Administration., ed. AB initio characterization of MgCCH, MgCCH⁺, and MgC₂, and pathways to their formation in the interstellar medium. [Washington, DC: National Aeronautics and Space Administration, 1996.
Buscar texto completoMarx, Dominik y Jürg Hutter. Ab Initio Molecular Dynamics: The Virtual Laboratory Approach. Wiley & Sons, Incorporated, John, 2010.
Buscar texto completoMarx, Dominik y Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.
Buscar texto completoMarx, Dominik y Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2012.
Buscar texto completoMarx, Dominik y Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.
Buscar texto completoMarx, Dominik y Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.
Buscar texto completoMarx, Dominik y Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2010.
Buscar texto completoSearles, Debra J. y Ellak I. v. Nagy-Felsobuki. Ab Initio Variational Calculations of Molecular Vibrational-Rotational Spectra. Springer London, Limited, 2013.
Buscar texto completoSylvain, Maurice Gilbert. Molecular polarizabilities and electronic properties from ab initio theory. 1988.
Buscar texto completoJebber, Kimberly. Ab initio studies of internal rotation and protonation. 1994.
Buscar texto completoPiet W. N. M. van Leeuwen, Keiji Morokuma y J. H. van Lenthe. Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory. Springer, 2012.
Buscar texto completoPiet W. N. M. van Leeuwen, Keiji Morokuma y J. H. van Lenthe. Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory. Springer London, Limited, 2012.
Buscar texto completoStein, Christopher. Highly Accurate Spectroscopic Parameters from Ab Initio Calculations: The Interstellar Molecules l-C3H+ and C4. Springer Spektrum, 2016.
Buscar texto completoIII, Henry F. Schaefer. Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory. Dover Publications, Incorporated, 2012.
Buscar texto completoIII, Henry F. Schaefer. Quantum Chemistry: The Development of AB Initio Methods in Molecular Electronic Structure Theory. Dover Publications, Incorporated, 2012.
Buscar texto completoIII, Henry F. Schaefer. Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory. Dover Publications, 2004.
Buscar texto completoSylvain, Maurice Gilbert. Determinations of atomic and molecular polarizabilities and hyperpolarizabilities: an AB initio theoretical approach. 1985.
Buscar texto completoZhu, Zhaohai. Ab initio MO study of the conformations of C1-oxygenated chiral alkenes and 4-tetrahydrapyranones. 1993.
Buscar texto completoP.W.N van Leeuwen (Editor), K. Morokuma (Editor) y J.H. van Lenthe (Editor), eds. Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory (Catalysis by Metal Complexes). Springer, 1995.
Buscar texto completoYamaguchi, Yukio, John D. Goddard, Yoshihiro Osamura y Henry Schaefer. A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory (International Series of Monographs on Chemistry). Oxford University Press, USA, 1994.
Buscar texto completoSapse, Anne-Marie, ed. Molecular Orbital Calculations for Biological Systems. Oxford University Press, 1998. http://dx.doi.org/10.1093/oso/9780195098730.001.0001.
Texto completoKirczenow, George. Molecular nanowires and their properties as electrical conductors. Editado por A. V. Narlikar y Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533046.013.4.
Texto completoAllen, Michael P. y Dominic J. Tildesley. Quantum simulations. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0013.
Texto completoGiacovazzo, Carmelo. Phasing in Crystallography. Oxford University Press, 2013. http://dx.doi.org/10.1093/oso/9780199686995.001.0001.
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