48 results on '"McCabe, Clare"'
Search Results
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. Using molecular simulation to understand the skin barrier
6. Editorial
7. 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
8. Formalizing atom-typing and the dissemination of force fields with foyer
9. John P O’Connell Festschrift in fluid phase equilibria
10. Predicting the thermodynamic properties of experimental mixed-solvent electrolyte systems using the SAFT-VR+DE equation of state
11. Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective
12. Effect of Ceramide Tail Length on the Structure of Model Stratum Corneum Lipid Bilayers
13. Modeling the thermodynamic properties and phase behaviour of organic sulfur molecules with a group contribution based statistical associating fluid theory approach (GC-SAFT-VR)
14. Predicting the phase behavior of fluorinated organic molecules using the GC-SAFT-VR equation of state
15. Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions
16. Investigating the Structure of Multicomponent Gel-Phase Lipid Bilayers
17. A SAFT-VR+DE equation of state based approach for the study of mixed dipolar solvent electrolytes
18. Call for papers - Special Issue Honoring Theo de Loos
19. Predicting the phase behavior of fatty acid methyl esters and their mixtures using the GC-SAFT-VR approach
20. Aqueous solutions: Bulk fluids and interfaces
21. Web- and Cloud-based Software Infrastructure for Materials Design
22. Accurately modeling benzene and alkylbenzenes using a group contribution based SAFT approach
23. Viscosity of liquid systems involving hydrogenated and fluorinated substances: Liquid mixtures of (hexane+perfluorohexane)
24. Concerning inconsistent equation of state formulations
25. New procedures for articles reporting thermophysical properties
26. Tribological characterization of gradient monolayer films from trichlorosilanes on silicon
27. Computational Investigation of Glycosylation Effects on a Family 1 Carbohydrate-binding Module
28. Multiple Functions of Aromatic-Carbohydrate Interactions in a Processive Cellulase Examined with Molecular Simulation
29. Perfluoroalkanes and perfluoroalkylalkane surfactants in solution: Partial molar volumes in n-octane and hetero-SAFT-VR modelling
30. Extending the GC-SAFT-VR approach to associating functional groups: Alcohols, aldehydes, amines and carboxylic acids
31. On the prediction of ternary mixture phase behavior from the GC-SAFT-VR approach: 1-Pentanol+dibutyl ether+n-nonane
32. Frictional performance of silica microspheres
33. The O-Glycosylated Linker from the Trichoderma reesei Family 7 Cellulase Is a Flexible, Disordered Protein
34. Measurement and prediction of high-pressure vapor–liquid equilibria for binary mixtures of carbon dioxide+n-octane, methanol, ethanol, and perfluorohexane
35. Modeling the phase behavior, excess enthalpies and Henry's constants of the H2O+H2S binary mixture using the SAFT-VR+D approach
36. A molecular dynamics study of the Gibbs free energy of solvation of fullerene particles in octanol and water
37. Developing a predictive group-contribution-based SAFT-VR equation of state
38. Molecular simulation evidence for processive motion of Trichoderma reesei Cel7A during cellulose depolymerization
39. Application of SAFT–VRX to binary phase behaviour: alkanes
40. Modelling the phase behaviour and excess properties of alkane + perfluoroalkane binary mixtures with the SAFT–VR approach
41. A study of mechanical shear bands in liquids at high pressure
42. Square-well chain molecules: a semi-empirical equation of state and Monte Carlo simulation data
43. A crossover SAFT-VR equation of state for pure fluids: preliminary results for light hydrocarbons
44. Liquid–vapour equilibrium of {xBF3 + (1 − x)n-butane} at 195.49 K
45. Thermodynamic properties of freely-jointed hard-sphere multi-Yukawa chain fluids: theory and simulation
46. Characterizing the viscosity–temperature dependence of lubricants by molecular simulation
47. Gibbs ensemble computer simulation and SAFT-VR theory of non-conformal square-well monomer–dimer mixtures
48. Prediction of diffusion coefficients of chlorophenols in water by computer simulation
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.