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There are 12100 results for: content related to: Path integral approach to the calculation of reaction rates for a reaction coordinate coupled to a dual harmonic bath

  1. Finite Element Methods for Elasticity with Error-controlled Discretization and Model Adaptivity

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    Encyclopedia of Computational Mechanics

    Erwin Stein and Marcus Rüter

    Published Online : 15 OCT 2007, DOI: 10.1002/9780470091357.ecm025.pub2

  2. Gradient Theory

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    Encyclopedia of Computational Chemistry

    Trygve Helgaker

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.caa007s

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    Spin in density-functional theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 23, 5 December 2012, Pages: 3661–3684, Christoph R. Jacob and Markus Reiher

    Version of Record online : 22 AUG 2012, DOI: 10.1002/qua.24309

  4. Repairable Systems: Statistical Inference

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    Encyclopedia of Statistics in Quality and Reliability

    Ma. Zenia N. Agustin

    Published Online : 15 MAR 2008, DOI: 10.1002/9780470061572.eqr356

  5. Molecular Magnetic Properties

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    Encyclopedia of Computational Chemistry

    Paolo Lazzeretti

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.cma029

  6. Nonsingular constraints in time-dependent variational principle for parametrized wave functions

    International Journal of Quantum Chemistry

    Volume 113, Issue 2, 15 January 2013, Pages: 161–170, Katsuhisa Ohta

    Version of Record online : 20 SEP 2012, DOI: 10.1002/qua.24325

  7. Explicit Finite Element Methods for Large Deformation Problems in Solid Mechanics

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    Encyclopedia of Computational Mechanics

    David J. Benson

    Published Online : 15 OCT 2007, DOI: 10.1002/0470091355.ecm072

  8. Discrepancy in the near-solute electric dipole moment calculated from the electric field

    Journal of Computational Chemistry

    Volume 32, Issue 13, October 2011, Pages: 2783–2799, Pei-Kun Yang

    Version of Record online : 30 JUN 2011, DOI: 10.1002/jcc.21858

  9. GEN1INT: A unified procedure for the evaluation of one-electron integrals over Gaussian basis functions and their geometric derivatives

    International Journal of Quantum Chemistry

    Volume 111, Issue 4, 15 March 2011, Pages: 858–872, Bin Gao, Andreas J. Thorvaldsen and Kenneth Ruud

    Version of Record online : 31 AUG 2010, DOI: 10.1002/qua.22886

  10. Magnetic neutron scattering anti-Bragg solution

    International Journal of Quantum Chemistry

    Volume 111, Issue 11, September 2011, Pages: 2579–2591, Serge N. Zagoulaev

    Version of Record online : 31 AUG 2010, DOI: 10.1002/qua.22706

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    Fourier Transform Microwave Spectroscopy Measurement and Instrumentation

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    Handbook of High-resolution Spectroscopy

    Jens-Uwe Grabow

    Published Online : 15 SEP 2011, DOI: 10.1002/9780470749593.hrs037

  12. General Micromagnetic Theory

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    Handbook of Magnetism and Advanced Magnetic Materials

    Helmut Kronmüller

    Published Online : 15 DEC 2007, DOI: 10.1002/9780470022184.hmm201

  13. Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density

    Journal of Computational Chemistry

    Volume 32, Issue 16, December 2011, Pages: 3485–3496, Diederik Vanfleteren, Dieter Ghillemijn, Dimitri Van Neck, Patrick Bultinck, Michel Waroquier and Paul W. Ayers

    Version of Record online : 15 SEP 2011, DOI: 10.1002/jcc.21933

  14. Internal model control design for input-constrained multivariable processes

    AIChE Journal

    Volume 57, Issue 12, December 2011, Pages: 3459–3472, Ambrose A. Adegbege and William P. Heath

    Version of Record online : 5 APR 2011, DOI: 10.1002/aic.12540

  15. Improving the robustness and efficiency of crude scheduling algorithms

    AIChE Journal

    Volume 53, Issue 10, October 2007, Pages: 2659–2680, Jie Li, Wenkai Li, I. A. Karimi and Rajagopalan Srinivasan

    Version of Record online : 31 AUG 2007, DOI: 10.1002/aic.11280

  16. Reaction Path Hamiltonian and its Use for Investigating Reaction Mechanisms

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    Encyclopedia of Computational Chemistry

    Elfi Kraka

    Published Online : 15 APR 2002, DOI: 10.1002/0470845015.cra005

  17. Convergence depth control for interior point methods

    AIChE Journal

    Volume 56, Issue 12, December 2010, Pages: 3146–3161, Weifeng Chen, Zhijiang Shao, Kexin Wang, Xi Chen and Lorenz T. Biegler

    Version of Record online : 11 NOV 2010, DOI: 10.1002/aic.12225

  18. Relativistic Computation of NMR Shieldings and Spin-Spin Coupling Constants

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    eMagRes

    Jochen Autschbach and Tom Ziegler

    Published Online : 15 MAR 2007, DOI: 10.1002/9780470034590.emrstm0451

  19. Shielding in Small Molecules

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    eMagRes

    Paolo Lazzeretti, Massimo Malagoli and Riccardo Zanasi

    Published Online : 15 MAR 2007, DOI: 10.1002/9780470034590.emrstm0499

  20. Embedding and atomic orbitals hybridization

    International Journal of Quantum Chemistry

    Volume 111, Issue 11, September 2011, Pages: 2602–2619, I. V. Abarenkov, M. A. Boyko and P. V. Sushko

    Version of Record online : 31 AUG 2010, DOI: 10.1002/qua.22820