29 results on '"Johnston, Karen A."'
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2. Assessment of GAFF and OPLS Force Fields for Urea: Crystal and Aqueous Solution Properties
3. Chitin and Chitosan Binding to the α-Chitin Crystal: A Molecular Dynamics Study
4. Multicomponent Chiral Quantification with Ultraviolet Circular Dichroism Spectroscopy: Ternary and Quaternary Phase Diagrams of Levetiracetam
5. Tuning Interfacial Concentration Enhancement through Dispersion Interactions to Facilitate Heterogeneous Nucleation
6. Comparing and Quantifying the Efficiency of Cocrystal Screening Methods for Praziquantel
7. Multicomponent Chiral Quantification with Ultraviolet Circular Dichroism Spectroscopy: Ternary and Quaternary Phase Diagrams of Levetiracetam
8. Cocrystals of Praziquantel: Discovery by Network-Based Link Prediction
9. Co-crystals of Praziquantel: Discovery by Network-Based Link Prediction
10. Interfacial Concentration Effect Facilitates Heterogeneous Nucleation from Solution
11. Influence of Molecule–Surface and Molecule–Molecule Interactions on Two-Dimensional Patterns Formed by Functionalized Aromatic Molecules
12. Evaluation and Optimization of Interface Force Fields for Water on Gold Surfaces
13. Interplay between Vacuum-Grown Monolayers of Alkylphosphonic Acids and the Performance of Organic Transistors Based on Dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene
14. Effects of Relaxation on Conversion Negative Electrode Materials for Li-Ion Batteries: A Study of TiSnSb Using 119Sn Mössbauer and 7Li MAS NMR Spectroscopies
15. Synthesis and Activity of 6″-Deoxy-6″-thio-α-GalCer and Peptide Conjugates
16. An Investigation of Chlorine Ligands in Transition-Metal Complexes via 35Cl Solid-State NMR and Density Functional Theory Calculations
17. Tuning the Adsorption of Aromatic Molecules on Platinum via Halogenation
18. Unravelling the Structure of Magnus’ Pink Salt
19. Comprehensive Solid-State Characterization of Rare Earth Fluoride Nanoparticles
20. Hierarchical Multiscale Modeling of Polymer–Solid Interfaces: Atomistic to Coarse-Grained Description and Structural and Conformational Properties of Polystyrene–Gold Systems
21. Structural Study of La1–xYxScO3, Combining Neutron Diffraction, Solid-State NMR, and First-Principles DFT Calculations
22. Adsorption of Dichlorobenzene on Au and Pt Stepped Surfaces Using van der Waals Density Functional Theory
23. Development of Classical Molecule–Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability
24. Synthesis and Mass Spectral Characterization of Mycobacterial Phosphatidylinositol and Its Dimannosides
25. Properties of Benzene Confined between Two Au(111) Surfaces Using a Combined Density Functional Theory and Classical Molecular Dynamics Approach
26. The Polar Phase of NaNbO3: A Combined Study by Powder Diffraction, Solid-State NMR, and First-Principles Calculations
27. Charge Transport in Self-Assembled Semiconducting Organic Layers: Role of Dynamic and Static Disorder
28. Cation Disorder in Pyrochlore Ceramics: 89Y MAS NMR and First-Principles Calculations
29. Oligomerization Properties of the Viral Oncoproteins Adenovirus E1A and Human Papillomavirus E7 and Their Complexes with the Retinoblastoma Protein†
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