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There are 24351 results for: content related to: Determining equilibrium constants for dimerization reactions from molecular dynamics simulations

  1. Ionic Conduction and Diffusion in Solids

    Standard Article

    Encyclopedia of Applied Physics

    A. V. Chadwick

    Published Online : 15 APR 2003, DOI: 10.1002/3527600434.eap187

  2. Multibaric–multithermal ensemble molecular dynamics simulations

    Journal of Computational Chemistry

    Volume 27, Issue 3, February 2006, Pages: 379–395, Hisashi Okumura and Yuko Okamoto

    Version of Record online : 28 DEC 2005, DOI: 10.1002/jcc.20351

  3. Theoretical Modeling of the Phase Separation Dynamics in Blends of Reactive Monomers

    Macromolecular Theory and Simulations

    Volume 14, Issue 5, June 14, 2005, Pages: 312–324, Gregory R. Yandek and Thein Kyu

    Version of Record online : 2 JUN 2005, DOI: 10.1002/mats.200400089

  4. Transition state theory with Tsallis statistics

    Journal of Computational Chemistry

    Volume 31, Issue 3, February 2010, Pages: 573–585, Wolfgang Quapp and Alraune Zech

    Version of Record online : 15 JUN 2009, DOI: 10.1002/jcc.21349

  5. 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

  6. DNA Condensation by Field-Induced Non-Equilibrium Noise

    ChemPhysChem

    Volume 10, Issue 16, November 9, 2009, Pages: 2871–2875, Robijn F. Bruinsma and Robert Riehn

    Version of Record online : 16 OCT 2009, DOI: 10.1002/cphc.200900525

  7. Redox Modification of EMACs Through the Tuning of Ligands: Heptametal(II) Complexes of Pyrazine-Modulated Oligo-α-pyridylamido Ligands

    European Journal of Inorganic Chemistry

    Volume 2009, Issue 14, May 2009, Pages: 2110–2120, Rayyat Huseyn Ismayilov, Wen-Zhen Wang, Gene-Hsiang Lee, Chih-Hsien Chien, Chien-Hong Jiang, Chien-Lan Chiu, Chen-Yu Yeh and Shie-Ming Peng

    Version of Record online : 2 APR 2009, DOI: 10.1002/ejic.200900046

  8. You have full text access to this OnlineOpen article
    Noise estimation from averaged diffusion weighted images: Can unbiased quantitative decay parameters assist cancer evaluation?

    Magnetic Resonance in Medicine

    Volume 71, Issue 6, June 2014, Pages: 2105–2117, Nikolaos Dikaios, Shonit Punwani, Valentin Hamy, Pierpaolo Purpura, Scott Rice, Martin Forster, Ruheena Mendes, Stuart Taylor and David Atkinson

    Version of Record online : 1 AUG 2013, DOI: 10.1002/mrm.24877

  9. Comparative Dimerization of 1-Butene with a Variety of Metal Catalysts, and the Investigation of a New Catalyst for C[BOND]H Bond Activation

    Chemistry - A European Journal

    Volume 10, Issue 4, February 20, 2004, Pages: 1014–1020, Brooke L. Small and Roland Schmidt

    Version of Record online : 16 FEB 2004, DOI: 10.1002/chem.200304945

  10. Monte Carlo simulations of biomolecules: The MC module in CHARMM

    Journal of Computational Chemistry

    Volume 27, Issue 2, 30 January 2006, Pages: 203–216, Jie Hu, Ao Ma and Aaron R. Dinner

    Version of Record online : 1 DEC 2005, DOI: 10.1002/jcc.20327

  11. Niobium(V) Saponite Clay for the Catalytic Oxidative Abatement of Chemical Warfare Agents

    Angewandte Chemie

    Volume 126, Issue 38, September 15, 2014, Pages: 10259–10262, Dr. Fabio Carniato, Dr. Chiara Bisio, Dr. Rinaldo Psaro, Prof. Leonardo Marchese and Dr. Matteo Guidotti

    Version of Record online : 23 JUL 2014, DOI: 10.1002/ange.201405134

  12. The Conditional Independence Assumption

    Statistical Matching: Theory and Practice

    Marcello D'Orazio, Marco Di Zio, Mauro Scanu, Pages: 13–63, 2006

    Published Online : 20 JUN 2006, DOI: 10.1002/0470023554.ch2

  13. Synthesis, Bonding and Reactivity of a Terminal Titanium Alkylidene Hydrazido Compound

    Chemistry - A European Journal

    Volume 19, Issue 13, March 25, 2013, Pages: 4198–4216, Dr. Pei Jen Tiong, Laura R. Groom, Dr. Eric Clot and Prof. Dr. Philip Mountford

    Version of Record online : 11 FEB 2013, DOI: 10.1002/chem.201203905

  14. ULTRAVIOLET PHOTOCHEMISTRY OF THYMINE IN AQUEOUS SOLUTION

    Photochemistry and Photobiology

    Volume 11, Issue 6, June 1970, Pages: 429–444, G. J. FISHER and H. E. JOHNS

    Version of Record online : 2 JAN 2008, DOI: 10.1111/j.1751-1097.1970.tb06015.x

  15. Absolute free energies estimated by combining precalculated molecular fragment libraries

    Journal of Computational Chemistry

    Volume 30, Issue 11, August 2009, Pages: 1680–1691, Xin Zhang, Artem B. Mamonov and Daniel M. Zuckerman

    Version of Record online : 5 JUN 2009, DOI: 10.1002/jcc.21337

  16. Niobium(V) Saponite Clay for the Catalytic Oxidative Abatement of Chemical Warfare Agents

    Angewandte Chemie International Edition

    Volume 53, Issue 38, September 15, 2014, Pages: 10095–10098, Dr. Fabio Carniato, Dr. Chiara Bisio, Dr. Rinaldo Psaro, Prof. Leonardo Marchese and Dr. Matteo Guidotti

    Version of Record online : 23 JUL 2014, DOI: 10.1002/anie.201405134

  17. Dielectric relaxation in proteins: a continuum electrostatics model incorporating dielectric heterogeneity of the protein and time-dependent charges

    Journal of Computational Chemistry

    Volume 22, Issue 3, February 2001, Pages: 290–305, Siegfried Höfinger and Thomas Simonson

    Version of Record online : 12 JAN 2001, DOI: 10.1002/1096-987X(200102)22:3<290::AID-JCC1002>3.0.CO;2-V

  18. Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water

    Journal of Computational Chemistry

    Volume 29, Issue 4, March 2008, Pages: 514–522, Jiali Gao, Kin-Yiu Wong and Dan T. Major

    Version of Record online : 22 AUG 2007, DOI: 10.1002/jcc.20810

  19. Three-dimensional dictionary-learning reconstruction of 23Na MRI data

    Magnetic Resonance in Medicine

    Volume 75, Issue 4, April 2016, Pages: 1605–1616, Nicolas G.R. Behl, Christine Gnahm, Peter Bachert, Mark E. Ladd and Armin M. Nagel

    Version of Record online : 19 MAY 2015, DOI: 10.1002/mrm.25759

  20. Reactivity index based on orbital energies

    Journal of Computational Chemistry

    Volume 35, Issue 14, 30 May 2014, Pages: 1093–1100, Takao Tsuneda and Raman K. Singh

    Version of Record online : 17 APR 2014, DOI: 10.1002/jcc.23599