Books on the topic 'Ab initio'
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Aguiar, João P. Afonso. Ab initio. Lisboa: Chiado Editora, 2013.
Find full textMaezono, Ryo. Ab initio Calculation Tutorial. Singapore: Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-0919-3.
Full textJ, Hehre Warren, ed. Ab initio molecular orbital theory. New York: Wiley, 1986.
Find full textMendive Tapia, Eduardo. Ab initio Theory of Magnetic Ordering. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-37238-5.
Full textHinchliffe, Alan. Ab initio determination of molecular properties. Bristol: A. Hilger, 1987.
Find full textP, Lawley K., ed. Ab initio methods in quantum chemistry. Chichester [West Sussex]: Wiley, 1987.
Find full textJürg, Hutter, ed. Ab initio molecular dynamics: Basic theory and advanced methods. Cambridge: Cambridge University Press, 2009.
Find full textPisani, C., R. Dovesi, and C. Roetti. Hartree-Fock Ab Initio Treatment of Crystalline Systems. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-93385-1.
Full textStein, Christopher J. Highly Accurate Spectroscopic Parameters from Ab Initio Calculations. Wiesbaden: Springer Fachmedien Wiesbaden, 2016. http://dx.doi.org/10.1007/978-3-658-14830-0.
Full textA, Lester W., and Reynolds Peter J, eds. Monte Carlo methods in ab initio quantum chemistry. Singapore: World Scientific, 1994.
Find full textReyna, Jose Cuauhtemoc Samaniego. AB initio quantum mechanical approaches in solid state. Birmingham: University of Birmingham, 2002.
Find full textPisani, C. Hartree-Fock ab initio treatment of crystalline systems. Berlin: Springer-Verlag, 1988.
Find full textDefranceschi, Mireille, and Claude Le Bris. Mathematical Models and Methods for Ab Initio Quantum Chemistry. Berlin, Heidelberg: Springer Berlin Heidelberg, 2000. http://dx.doi.org/10.1007/978-3-642-57237-1.
Full textSearles, 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.
Full textNomura, Yusuke. Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides. Singapore: Springer Singapore, 2016. http://dx.doi.org/10.1007/978-981-10-1442-0.
Full textSahli, Beat. Ab initio molecular dynamics simulation of diffusion in silicon. Konstanz: Hartung-Gorre, 2007.
Find full textSoscun, H. J. Ab initio scf-mo studies of dipole polarizabilities ofconjugatedmolecules. Manchester: UMIST, 1994.
Find full textIoannoni, Francesca. Fluorescence spectra and ab initio theoretical studies of HCOOH. St. Catharines [Ont.]: Dept. of Chemistry, Brock University, 1989.
Find full textSearles, D. Ab initio variational calculations of molecular vibrational-rotational spectra. Berlin: Springer-Verlag, 1993.
Find full textUnited States. National Aeronautics and Space Administration., ed. The vibrational spectrum of HO: An ab initio investigation. [Washington, DC: National Aeronautics and Space Administration, 1991.
Find full textSearles, D. Ab initio variational calculations of molecular vibrational-rotational spectra. Berlin: Springer-Verlag, 1994.
Find full textDykstra, Clifford E. AB initio calculation of the structures and properties of molecules. Amsterdam: Elsevier, 1988.
Find full textSingleton, Philip A. An ab initio S.C.F. M.O. study of lithium-ammonia complexes. Salford: University of Salford, 1987.
Find full textOhno, Kaoru. Computational Materials Science: From Ab Initio to Monte Carlo Methods. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999.
Find full textBartlett, Rodney J., ed. Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-5474-8.
Full textPisani, Cesare, ed. Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials. Berlin, Heidelberg: Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/978-3-642-61478-1.
Full textR, Taylor Peter, and United States. National Aeronautics and Space Administration., eds. An ab initio study of the C₃(+) cation using multireference methods. 2nd ed. [Washington, DC: National Aeronautics and Space Administration, 1991.
Find full textC, Pisani, ed. Quantum-mechanical ab-initio calculation of the properties of crystalline materials. Berlin: Springer-Verlag, 1996.
Find full textKim, Gapsue. Ab initio calculation of the excited states of some diatomic molecular ions. [s.l.]: typescript, 1997.
Find full textAi, Xinyuan. Slave Mode Expansion for Obtaining Ab Initio Interatomic Potentials and its Applications. [New York, N.Y.?]: [publisher not identified], 2015.
Find full textLeeuwen, 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.
Find full textTsutsumi, Takuro. Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map. Singapore: Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-7321-7.
Full textBorn, R. Ab initio calculations of conformational effects on ¹³C NMR spectra of amorphous polymers. Berlin: Springer, 1997.
Find full textO'Regan, David D. Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-23238-1.
Full textLabriolle, Marie-Rose De. Ab Initio. Hodder Education Group, 2008.
Find full textLetërsi - AB initio. Tiranë: Albas, 2019.
Find full textKador, John. Licet Ab Initio. Lulu Press, Inc., 2020.
Find full textCoutinho, Ana Paula, and Maria Luísa Malato, eds. Ab Initio. EJICOMP II. FLUP-ILCML, 2021. http://dx.doi.org/10.21747/9789895478453/cass6.
Full textAb initio German: Trends and perspectives. Bradford: Department of Modern Languages, University of Bradford, 1999.
Find full textInnes, Elizabeth Alexandra. An Ab initio study of dihydroazabenzenes. 1986.
Find full textDevreese, J. T. Ab Initio Calculation of Phonon Spectra. Springer, 2011.
Find full textCook, D. B. Ab Initio Valence Calculations in Chemistry. Elsevier Science & Technology Books, 2013.
Find full textAB Initio Calculation of Phonon Spectra. Springer, 2012.
Find full textCook, David B., and D. B. Cook. AB Initio Valence Calculations in Chemistry. Wiley & Sons, Incorporated, John, 2013.
Find full textVelinova, Maria. Ab Initio Calculations: Methods and Applications. Arcler Education Inc, 2017.
Find full textUrban, Miroslav, and Petr Carsky. Ab Initio Calculations: Methods and Applications in Chemistry. Springer, 2012.
Find full textMarx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.
Find full textMarx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2012.
Find full textMarx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.
Find full textMarx, Dominik, and Jürg Hutter. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. Cambridge University Press, 2009.
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