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Solvation shell

  • Microscopic Dynamics of Charge Separation at the Aqueous Electrochemical Interface

    Microscopic Dynamics of Charge Separation at the Aqueous Electrochemical Interface

  • Solvent Effects on the Thermodynamic Functions of Dissociation of Anilines and Phenols

    Solvent Effects on the Thermodynamic Functions of Dissociation of Anilines and Phenols

  • Hydrated Sulfate Clusters SO4^2

    Hydrated Sulfate Clusters SO4^2

  • Solvation Structure of Ions in Water

    Solvation Structure of Ions in Water

  • Correlation Between Solubility and the Number of Water Molecules in the First Solvation Shell

    Correlation Between Solubility and the Number of Water Molecules in the First Solvation Shell

  • The Ionization Constant of Water Over Wide Ranges of Temperature and Density

    The Ionization Constant of Water Over Wide Ranges of Temperature and Density

  • Structure of Solvated Metal Ions

    Structure of Solvated Metal Ions

  • A Computational Study of Mg2+ Dehydration in Aqueous Solution in the Presence of HS� and Other Monovalent Anions – Insights to Dolomite Formation

    A Computational Study of Mg2+ Dehydration in Aqueous Solution in the Presence of HS and Other Monovalent Anions – Insights to Dolomite Formation

  • The Effects of Dissolved Halide Anions on Hydrogen Bonding in Liquid Water Jared D

    The Effects of Dissolved Halide Anions on Hydrogen Bonding in Liquid Water Jared D

  • Step-Wise Hydration of Magnesium by Four Water Molecules Precedes Phosphate Release in a Myosin Motor

    Step-Wise Hydration of Magnesium by Four Water Molecules Precedes Phosphate Release in a Myosin Motor

  • Enhancing Electrochemical Intermediate Solvation Through Electrolyte Anion Selection to Increase Nonaqueous Li‐O2 Battery Capacity

    Enhancing Electrochemical Intermediate Solvation Through Electrolyte Anion Selection to Increase Nonaqueous Li‐O2 Battery Capacity

  • Observation of Water Dangling OH Bonds Around Dissolved Nonpolar Groups

    Observation of Water Dangling OH Bonds Around Dissolved Nonpolar Groups

  • Li+ Solvation in Pure, Binary and Ternary Mixtures of Organic Carbonate Electrolytes

    Li+ Solvation in Pure, Binary and Ternary Mixtures of Organic Carbonate Electrolytes

  • 46. Li-S Solvation.Pdf

    46. Li-S Solvation.Pdf

  • Solvation Structures and Dynamics of Small Molecules: Experimental and Computational Studies Using Carbonyl Vibrational Modes As Probe

    Solvation Structures and Dynamics of Small Molecules: Experimental and Computational Studies Using Carbonyl Vibrational Modes As Probe

  • Protein Preferential Solvation in Water:Glycerol Mixtures Nicolas Chéron, Margaux Naepels, Eva Pluhařová, Damien Laage

    Protein Preferential Solvation in Water:Glycerol Mixtures Nicolas Chéron, Margaux Naepels, Eva Pluhařová, Damien Laage

  • Solvation in the Cramer-Truhlar Groups

    Solvation in the Cramer-Truhlar Groups

  • Solvent Fluctuations in the Solvation Shell Determine the Activation Barrier for Crystal Growth Rates

    Solvent Fluctuations in the Solvation Shell Determine the Activation Barrier for Crystal Growth Rates

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  • Characterizing Polymer Hydration Shell Compressibilities with the Small-System Method
  • Solubility Temperature and Solvent Dependence
  • Correlation Between Water Molecules Identified in Atomic Models of Β
  • Deciphering the Solvent Effect for the Solvation Structure of Ca2+ in Polar Molecular Liquids
  • Molecular Simulations of Carbon Dioxide and Water: Cation Solvation Louise J
  • On Protein Preferential Solvation in Water:Glycerol Mixtures
  • The AGBNP2 Implicit Solvation Model
  • 1 Enhancing Electrochemical Intermediate Solvation Through Electrolyte Anion Selection To
  • Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
  • Hydration Numbers from Ab Initio Water Reorientation Dy
  • Theoretical Calculations of Acid Dissociation Constants: a Review Article
  • Protein Solvent Shell Structure Provides Rapid Analysis of Hydration Dynamics ‡ Jayangika N
  • The Role of Water Mobility in Protein Misfolding
  • Improved Efficiency of Replica Exchange Simulations Through Use
  • Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions
  • Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and Pka Values of Thiols
  • A Molecular Dynamics Study of Pressure Effects on Solvation and Optical Spectra: the Ground and Excited States of Formaldehyde in Water
  • Local Effects in the X-Ray Absorption Spectrum of Salt Water


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