150 results on '"McCabe, Clare"'
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2. The skin barrier: An extraordinary interface with an exceptional lipid organization
3. Perfluorinated Pollutants in Water: Diffusion Coefficient of Perfluorosulfonic Acids by Molecular Dynamics Simulations
4. Preface
5. MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC
6. Using molecular simulation to understand the skin barrier
7. High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning
8. Development of a Coarse-Grained Water Forcefield via Multistate Iterative Boltzmann Inversion
9. A Hierarchical, Component Based Approach to Screening Properties of Soft Matter
10. Development of coarse-grained model for a minimal stratum corneum lipid mixture
11. Editorial
12. Energy Storage in Cellulase Linker Peptides?
13. Chapter 8. SAFT Associating Fluids and Fluid Mixtures
14. Examining the self-assembly of patchy alkane-grafted silica nanoparticles using molecular simulation
15. Tribology at the Nanoscale
16. Effective Interaction Potentials for Coarse-Grained Simulations of Polymer-Tethered Nanoparticle Self-Assembly in Solution
17. Vapor-liquid equilibria for binary systems carbon dioxide + 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane or 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane at 303.15–323.15 K
18. Open-Source Molecular Modeling Software in Chemical Engineering Focusing on the Molecular Simulation Design Framework
19. Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE)
20. Tribology at the Nanoscale
21. Formalizing atom-typing and the dissemination of force fields with foyer
22. Influence of Single-Stranded DNA Coatings on the Interaction between Graphene Nanoflakes and Lipid Bilayers
23. Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation
24. John P O’Connell Festschrift in fluid phase equilibria
25. Composition Dependence of Water Permeation Across Multicomponent Gel-Phase Bilayers
26. Predicting the thermodynamic properties of experimental mixed-solvent electrolyte systems using the SAFT-VR+DE equation of state
27. Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective
28. Final Report for Grant DE-FG05-94ER14421 Period 11/1/2001-10/31/2002 Molecular Modeling and Simulation of Aqueous Electrolyte Systems
29. Effect of Ceramide Tail Length on the Structure of Model Stratum Corneum Lipid Bilayers
30. Modeling the thermodynamic properties and phase behaviour of organic sulfur molecules with a group contribution based statistical associating fluid theory approach (GC-SAFT-VR)
31. Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities
32. Predicting the phase behavior of fluorinated organic molecules using the GC-SAFT-VR equation of state
33. Structural Properties of Phospholipid-based Bilayers with Long-Chain Alcohol Molecules in the Gel Phase
34. Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions
35. Investigating the Structure of Multicomponent Gel-Phase Lipid Bilayers
36. A SAFT-VR+DE equation of state based approach for the study of mixed dipolar solvent electrolytes
37. Call for papers - Special Issue Honoring Theo de Loos
38. Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study
39. Predicting the phase behavior of fatty acid methyl esters and their mixtures using the GC-SAFT-VR approach
40. Aqueous solutions: Bulk fluids and interfaces
41. Examination of the phase transition behavior of nano-confined fluids by statistical temperature molecular dynamics
42. Examining the aggregation behavior of polymer grafted nanoparticles using molecular simulation and theory
43. Predicting the thermodynamic properties and dielectric behavior of electrolyte solutions using the SAFT-VR+DE equation of state
44. Abstract 4792: Comprehensive molecular pathology analysis of small bowel adenocarcinoma reveals novel targets with clinical utility
45. Comprehensive molecular pathology analysis of small bowel adenocarcinoma reveals novel targets with potential for clinical utility
46. Molecular Dynamics Study of Alkylsilane Monolayers on Realistic Amorphous Silica Surfaces
47. Prediction of n-Alkane Adsorption on Activated Carbon Using the SAFT–FMT–DFT Approach
48. Vapor Pressure of Perfluoroalkylalkanes: The Role of the Dipole
49. Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation
50. Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion
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