Books on the topic 'Ab Initio Molecular Dyamics'

J, Hehre Warren, ed. Ab initio molecular orbital theory. New York: Wiley, 1986.

Hinchliffe, Alan. Ab initio determination of molecular properties. Bristol: A. Hilger, 1987.

Searles, Debra J., and 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.

Sahli, Beat. Ab initio molecular dynamics simulation of diffusion in silicon. Konstanz: Hartung-Gorre, 2007.

Searles, D. Ab initio variational calculations of molecular vibrational-rotational spectra. Berlin: Springer-Verlag, 1994.

Jürg, Hutter, ed. Ab initio molecular dynamics: Basic theory and advanced methods. Cambridge: Cambridge University Press, 2009.

Searles, D. Ab initio variational calculations of molecular vibrational-rotational spectra. Berlin: Springer-Verlag, 1993.

Dykstra, Clifford E. AB initio calculation of the structures and properties of molecules. Amsterdam: Elsevier, 1988.

Leeuwen, P. W. N. M. van, Morokuma K. 1934-, and Lenthe Joop H. van, eds. Theoretical aspects of homogeneous catalysis: Applications of ab initio molecular orbital theory. Dordrecht: Kluwer Academic, 1995.

Kim, Gapsue. Ab initio calculation of the excited states of some diatomic molecular ions. [s.l.]: typescript, 1997.

Roy, Kari, and Csizmadia I. G, eds. Handbook of Gaussian basis sets: A compendium for ab-initio molecular orbital calculations. Amsterdam: Elsevier, 1985.

Schaefer, Henry F. Quantum chemistry: The development of ab initio methods in molecular electronic structure theory. Mineola, NY: Dover Publications, 2004.

Schaefer, Henry F. Quantum chemistry: The development of ab initio methods in molecular electronic structure theory. Oxford: Clarendon Press, 1985.

Poirier, Raymond. Handbook of Gaussian basis sets: A compendium for Ab-initio molecular orbital calculations. Amsterdam: Elsevier, 1985.

Y, Yamaguchi, ed. A New dimension to quantum chemistry: Analytic derivative methods in ab initio molecular electronic structure theory. New York: Oxford University Press, 1994.

United 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.

United 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.

United 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.

Marx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: The Virtual Laboratory Approach. Wiley & Sons, Incorporated, John, 2010.

Marx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.

Marx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2012.

Marx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.

Marx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.

Marx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2010.

Searles, Debra J., and Ellak I. v. Nagy-Felsobuki. Ab Initio Variational Calculations of Molecular Vibrational-Rotational Spectra. Springer London, Limited, 2013.

Sylvain, Maurice Gilbert. Molecular polarizabilities and electronic properties from ab initio theory. 1988.

Jebber, Kimberly. Ab initio studies of internal rotation and protonation. 1994.

Piet W. N. M. van Leeuwen, Keiji Morokuma, and J. H. van Lenthe. Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory. Springer, 2012.

Piet W. N. M. van Leeuwen, Keiji Morokuma, and J. H. van Lenthe. Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory. Springer London, Limited, 2012.

Stein, Christopher. Highly Accurate Spectroscopic Parameters from Ab Initio Calculations: The Interstellar Molecules l-C3H+ and C4. Springer Spektrum, 2016.

III, Henry F. Schaefer. Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory. Dover Publications, Incorporated, 2012.

III, Henry F. Schaefer. Quantum Chemistry: The Development of AB Initio Methods in Molecular Electronic Structure Theory. Dover Publications, Incorporated, 2012.

III, Henry F. Schaefer. Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory. Dover Publications, 2004.

Sylvain, Maurice Gilbert. Determinations of atomic and molecular polarizabilities and hyperpolarizabilities: an AB initio theoretical approach. 1985.

Zhu, Zhaohai. Ab initio MO study of the conformations of C1-oxygenated chiral alkenes and 4-tetrahydrapyranones. 1993.

P.W.N van Leeuwen (Editor), K. Morokuma (Editor), and J.H. van Lenthe (Editor), eds. Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory (Catalysis by Metal Complexes). Springer, 1995.

Yamaguchi, Yukio, John D. Goddard, Yoshihiro Osamura, and 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.

Sapse, Anne-Marie, ed. Molecular Orbital Calculations for Biological Systems. Oxford University Press, 1998. http://dx.doi.org/10.1093/oso/9780195098730.001.0001.

Kirczenow, George. Molecular nanowires and their properties as electrical conductors. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533046.013.4.

Allen, Michael P., and Dominic J. Tildesley. Quantum simulations. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0013.

Giacovazzo, Carmelo. Phasing in Crystallography. Oxford University Press, 2013. http://dx.doi.org/10.1093/oso/9780199686995.001.0001.