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There are 2464461 results for: content related to: Nature of quantum chemistry

  1. You have free access to this content
    Supplemental Images

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Ross C. Walker, Andreas W. Götz, Pages: 1–8, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.ins

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    Front Matter

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Ross C. Walker, Andreas W. Götz, Pages: i–xxviii, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.fmatter

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    Technical Index

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Ross C. Walker, Andreas W. Götz, Pages: 333–334, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.indsp2

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    Scientific Index

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Ross C. Walker, Andreas W. Götz, Pages: 327–332, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.indsp1

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    H-bond and electric field correlations for water in highly hydrated crystals

    International Journal of Quantum Chemistry

    Volume 115, Issue 18, September 15, 2015, Anik Sen, Pavlin D. Mitev, Anders Eriksson and Kersti Hermansson

    Version of Record online : 1 AUG 2015, DOI: 10.1002/qua.24990

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    Carbonates in Zeolites: Formation, Properties, Reactivity

    International Journal of Quantum Chemistry

    Volume 116, Issue 4, February 15, 2016, Andrey A. Rybakov, Ilya A. Bryukhanov, Alexander V. Larin and Georgy M. Zhidomirov

    Version of Record online : 8 FEB 2016, DOI: 10.1002/qua.25114

  7. GPUs: Hardware to Software

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Perri Needham, Andreas W. Götz, Ross C. Walker, Pages: 23–38, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.ch2

  8. 1-nitropropene: A model compound for the theoretical study of TNT decomposition

    International Journal of Quantum Chemistry

    Volume 24, Issue S17, 3/12 March 1983, Page: 193, Larry P. Davis and Almon G. Turner

    Version of Record online : 9 JUL 2009, DOI: 10.1002/qua.560240821

  9. Wavelet-Based Density Functional Theory on Massively Parallel Hybrid Architectures

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Luigi Genovese, Brice Videau, Damien Caliste, Jean-François Méhaut, Stefan Goedecker, Thierry Deutsch, Pages: 115–134, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.ch6

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    Electrical and thermal properties of the partially oxidized salt of the magnus green salt with the formula Pt6 (NH3)10Cl10(HSO4)4

    International Journal of Quantum Chemistry

    Volume 18, Issue 6, December 1980, Pages: 1533–1538, R. Kubota, H. Kobayashi, I. Tsujikawa and T. Enoki

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560180621

  11. Structure and vibrational frequencies of lithium cyanide from calculations of hartree—fock energies

    International Journal of Quantum Chemistry

    Volume 4, Issue S3B, 13/18 January 1969, Pages: 527–528, Børge Bak

    Version of Record online : 18 JUN 2009, DOI: 10.1002/qua.560040717

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    Erratum

    International Journal of Quantum Chemistry

    Volume 30, Issue S20, 10/15 March 1986, Page: 772,

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560300768

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    Model for the lipid monolayer-phase transitions

    International Journal of Quantum Chemistry

    Volume 18, Issue 6, December 1980, Pages: 1511–1516, Hiroyuki Maekawa and Masahiko Hosokawa

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560180618

  14. Quantum chemical calculations on ion pairs. II. Structure of haloacetic acids in aqueous solution

    International Journal of Quantum Chemistry

    Volume 32, Issue S21, 12 March 1987, Pages: 753–754, Renato R. Contreras, Arie Aizman, Demian Morales and Maria E. Llanos

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560320776

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    Klaus Rüdenberg

    International Journal of Quantum Chemistry

    Volume 76, Issue 2, 2000, Page: 113,

    Version of Record online : 7 FEB 2000, DOI: 10.1002/(SICI)1097-461X(2000)76:2<113::AID-QUA1>3.0.CO;2-K

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    George G. Hall

    International Journal of Quantum Chemistry

    Volume 74, Issue 5, 1999, Page: 437,

    Version of Record online : 23 JUL 1999, DOI: 10.1002/(SICI)1097-461X(1999)74:5<437::AID-QUA1>3.0.CO;2-Q

  17. Introduction, Part I

    International Journal of Quantum Chemistry

    Volume 24, Issue S17, 3/12 March 1983, Page: 1, David A. Micha and Per-Olov Löwdin

    Version of Record online : 9 JUL 2009, DOI: 10.1002/qua.560240802

  18. Meetings of possible interest to heteroatom chemists

    Heteroatom Chemistry

    Volume 4, Issue 1, February 1993, Pages: 103–104,

    Version of Record online : 22 SEP 2004, DOI: 10.1002/hc.520040116

  19. GPU Acceleration for Density Functional Theory with Slater-Type Orbitals

    Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics

    Hans van Schoot, Lucas Visscher, Pages: 101–114, 2016

    Published Online : 19 FEB 2016, DOI: 10.1002/9781118670712.ch5

  20. You have free access to this content
    Erratum

    International Journal of Quantum Chemistry

    Volume 34, Issue S22, 12/19 March 1988, Page: 741,

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560340876