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There are 12264 results for: content related to: Systematic assessment on aqueous p K a and p K b of an amino acid base on RISM-SCF-SEDD method: Toward first principles calculations

  1. Ionic adsorbates on metal surfaces

    International Journal of Quantum Chemistry

    Volume 110, Issue 15, December 2010, Pages: 2844–2859, P. S. Bagus, A. Wieckowski and Ch. Wöll

    Version of Record online : 19 AUG 2010, DOI: 10.1002/qua.22840

  2. Methodology of predicting approximate shapes and size distribution of micelles: Illustration for simple models

    Journal of Computational Chemistry

    Volume 23, Issue 15, 30 November 2002, Pages: 1445–1455, Masahiro Kinoshita and Yoshiki Sugai

    Version of Record online : 1 OCT 2002, DOI: 10.1002/jcc.10144

  3. Tuning the Polarizability in Donor Polymers with a Thiophenesaccharin Unit for Organic Photovoltaic Applications

    Advanced Functional Materials

    Volume 24, Issue 22, June 11, 2014, Pages: 3432–3437, Tao Xu, Luyao Lu, Tianyue Zheng, Jodi M. Szarko, Alexander Schneider, Lin X. Chen and Luping Yu

    Version of Record online : 18 FEB 2014, DOI: 10.1002/adfm.201303688

  4. The galaxy ancestor problem

    Monthly Notices of the Royal Astronomical Society

    Volume 426, Issue 3, 1 November 2012, Pages: 1731–1749, M. J. Disney and R. H. Lang

    Version of Record online : 8 OCT 2012, DOI: 10.1111/j.1365-2966.2012.21753.x

  5. Molecular activation energies (Δμ*2) of L-lysine, L-tyrosine, L-proline, DL-alanine, glycerol, orcinol, iodine, DTAB, and TMSOI for blending with melamine-formaldehyde-polyvinylpyrrolidone polymer resin illustrated with SEM

    Journal of Applied Polymer Science

    Volume 118, Issue 2, 15 October 2010, Pages: 960–968, Man Singh, Vinod Kumar, R. K. Kale and C. L. Jain

    Version of Record online : 27 MAY 2010, DOI: 10.1002/app.32457

  6. A Generalized Model for Calculating Equilibrium States of Gas Hydrates: Part II

    Annals of the New York Academy of Sciences

    Volume 912, Issue 1, January 2000, Pages: 614–622, S.-Y. LEE and G. D. HOLDER

    Version of Record online : 25 JAN 2006, DOI: 10.1111/j.1749-6632.2000.tb06816.x

  7. Non-radial superfluid modes in oscillating neutron stars

    Monthly Notices of the Royal Astronomical Society: Letters

    Volume 418, Issue 1, November 2011, Pages: L54–L58, A. I. Chugunov and M. E. Gusakov

    Version of Record online : 27 SEP 2011, DOI: 10.1111/j.1745-3933.2011.01142.x

  8. First-principles calculations of the stability and electronic properties of the PbTiO3 (110) polar surface

    Journal of Computational Chemistry

    Volume 30, Issue 12, September 2009, Pages: 1785–1798, Guo-Xu Zhang, Ying Xie, Hai-Tao Yu and Hong-Gang Fu

    Version of Record online : 17 DEC 2008, DOI: 10.1002/jcc.21180

  9. New constraint on cosmological variation of the proton-to-electron mass ratio from Q0528−250

    Monthly Notices of the Royal Astronomical Society

    Volume 417, Issue 4, November 2011, Pages: 3010–3024, Julian A. King, Michael T. Murphy, Wim Ubachs and John K. Webb

    Version of Record online : 6 OCT 2011, DOI: 10.1111/j.1365-2966.2011.19460.x

  10. Dual-ascent and primal heuristics for production-assembly-distribution system design

    Naval Research Logistics (NRL)

    Volume 60, Issue 1, February 2013, Pages: 1–18, Dong Liang and Wilbert E. Wilhelm

    Version of Record online : 20 DEC 2012, DOI: 10.1002/nav.21515

  11. Bacterial Cytoplasmic Membrane

    Standard Article

    eLS

    Joel H Weiner and Richard A Rothery

    Published Online : 21 DEC 2007, DOI: 10.1002/9780470015902.a0000299.pub2

  12. Magnetic moments of hindered rotators by off-center impurity ions

    International Journal of Quantum Chemistry

    Volume 89, Issue 4, 2002, Pages: 371–376, A.G. Andreev, M. Georgiev, M.S. Mladenova and V. Krastev

    Version of Record online : 17 JUN 2002, DOI: 10.1002/qua.10287

  13. Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction

    Journal of Computational Chemistry

    Volume 29, Issue 14, 15 November 2008, Pages: 2406–2415, Gennady N. Chuev, Maxim V. Fedorov, Sandro Chiodo, Nino Russo and Emilia Sicilia

    Version of Record online : 1 MAY 2008, DOI: 10.1002/jcc.20979

  14. First-Principles Study of Perovskite Ultrathin Films: Stability and Confinement Effects

    Israel Journal of Chemistry

    Marco Arrigoni, Eugene A. Kotomin and Joachim Maier

    Version of Record online : 15 NOV 2016, DOI: 10.1002/ijch.201600056

  15. Adsorption, absorption, versus crystal growth

    Crystal Research and Technology

    Volume 48, Issue 10, October 2013, Pages: 727–782, Raymond Kern

    Version of Record online : 13 AUG 2013, DOI: 10.1002/crat.201200704

  16. Understanding Low Bandgap Polymer PTB7 and Optimizing Polymer Solar Cells Based on It

    Advanced Materials

    Volume 26, Issue 26, July 9, 2014, Pages: 4413–4430, Luyao Lu and Luping Yu

    Version of Record online : 26 MAR 2014, DOI: 10.1002/adma.201400384

  17. Improving measurements of H(z) and DA(z) by analysing clustering anisotropies

    Monthly Notices of the Royal Astronomical Society

    Volume 419, Issue 4, February 2012, Pages: 3223–3243, Eyal A. Kazin, Ariel G. Sánchez and Michael R. Blanton

    Version of Record online : 21 NOV 2011, DOI: 10.1111/j.1365-2966.2011.19962.x

  18. Spin flips – I. Evolution of the angular momentum orientation of Milky Way-mass dark matter haloes

    Monthly Notices of the Royal Astronomical Society

    Volume 420, Issue 4, March 2012, Pages: 3324–3333, Philip E. Bett and Carlos S. Frenk

    Version of Record online : 13 JAN 2012, DOI: 10.1111/j.1365-2966.2011.20275.x

  19. Effect of mixed macromolecular crowding agents on protein folding

    Proteins: Structure, Function, and Bioinformatics

    Volume 72, Issue 4, September 2008, Pages: 1109–1113, Huan-Xiang Zhou

    Version of Record online : 27 MAY 2008, DOI: 10.1002/prot.22111

  20. Quantitative effect of the neonatal fontanel on synthetic near infrared spectroscopy measurements

    Human Brain Mapping

    Volume 34, Issue 4, April 2013, Pages: 878–889, Mathieu Dehaes, Kamran Kazemi, Mélanie Pélégrini-Issac, Reinhard Grebe, Habib Benali and Fabrice Wallois

    Version of Record online : 23 NOV 2011, DOI: 10.1002/hbm.21483