McCabe, C.

Authored

(109f) Oligomer Adsorption in Cylindrical Pores: a Comparison of Density Functional Theory and Discontinuous Molecular Dynamics Simulation
2010 Annual Meeting
(563c) Examining the Thermodynamic Properties of Ionic Systems Using the SAFT-VR+DE Approach. From Simple Aqueous Electrolyte to Polar Mixed-Solvent Electrolyte Systems
2010 Annual Meeting
(388c) A Student Competition to Develop a Chemical Engineering App for the Iphone
2010 Annual Meeting
(749d) Molecular Simulation of a Ceramide/Water Bilayer: Comparison of Atomistic and Coarse-Grained Models
2010 Annual Meeting
(279c) On the Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers
2010 Annual Meeting
(226f) Evolving the SAFT-VR Equation of State Into a General Modeling Platform for Complex Fluids
2011 Annual Meeting
(480d) Characterization of Surface and Frictional Properties of Two-Component Alkyltrichlorosilane Monolayers
2009 Annual Meeting
(335p) Developing a Group Contribution Based Saft-Vr Equation of State
2007 Annual Meeting
On the Thermodynamics of Chain Fluids from Simulation and the Heteronuclear Statistical Associating Fluid Theory
2005 Annual Meeting
(111d) Using Molecular Modeling to Understand Enzymatic Cellulose Hydrolysis
2008 Spring Meeting & 4th Global Congress on Process Safety
(595f) Predicting the Phase Behavior of Charged and Polar Fluids Using the SAFT-VR+DE Approach
2009 Annual Meeting
(58a) Analyzing the Distribution of Water around the Cellobiohydrolase I Linker Peptide
2009 Annual Meeting
(644a) Conformational Energies of Cellobiohydrolase I Linker on Cellulose Surface
2007 Annual Meeting
(309f) Development of Coarse-Grained Force Fields for Polymer-Tethered Silsesquioxanes
2005 Annual Meeting
(757e) Fourier Space Based Approach to Classical Density Functional Theory
2011 Annual Meeting
(180l) Modeling the Phase Behavior, Excess Enthalpies and Henry's Constants of the H2O + H2S Binary Mixture Using the SAFT-VR+D Approach
2009 Annual Meeting
(114f) Modeling the Thermodynamic Behavior of Systems Containing Charged and/or Dipolar Fluids
2007 Annual Meeting
(422b) Evaluation of the Phase Equilibria of Gas Condensates and Light Petroleum Fractions Using the Saft-Vr Approach
2005 Annual Meeting
(119d) Wang-Landau Simulations for Self-Assembling Systems
2011 Annual Meeting
(524b) Molecular Dynamics Studies of Friction in Alkylsilane and Hydroxyalkylsilane Coated Mems Devices
2009 Annual Meeting
(486e) Ionic Liquids As Novel Lubricants: Application To Nano-Electromechanical Systems
2007 Annual Meeting
(223g) Comparison of Adsorption of Spherical and Non-Spherical Nitrogen in Parallel Slit Pores Using Density Functional Theory: Density Profiles and Pore Size Distributions
2005 Annual Meeting
(775d) On the Development of Coarse-Grained Models for Skin Lipids
2011 Annual Meeting
(692f) Force Field for Dibenzotiophene and Its Alkyl Derivates
2009 Annual Meeting
(64e) Phase Behavior of Complex Systems Using the GC-SAFT-VR Equation of State
2009 Annual Meeting
(238d) Phase Behavior of Dipolar Fluids from the Saft-Vr Equation of State
2005 Annual Meeting
(579c) Determining the Octanol-Water Partition Coefficient for Poss Systems
2005 Annual Meeting
(245c) Effect of Surface Topography and Superhydrophobicity On Friction
2011 Annual Meeting
(650c) Self-Assembly of Coarse-Grained Stratum Corneum Lipids
2009 Annual Meeting
(451e) Coarse Grained Molecular Dynamics Simulations of Crystalline Free-Fatty Acids
2007 Annual Meeting
(139h) Molecular Modeling of Cellulose Hydrolysis: the Hydrated Cel7a Linker Peptide
2005 Annual Meeting
(318d) Engineering Protein-Carbohydrate Binding Affinity Via Glycosylation: A General Strategy to Improve Cellulase Performance
2011 Annual Meeting
(286g) Tribometric Comparison of n-Alkanethiolate and n-Alkyl Trichlorosilane Monolayers
2009 Annual Meeting
(319g) A Coarse-Grained Force Field For Simulating Tethered Nanoparticle Self-Assembly In Solution
2007 Annual Meeting
(2b) Computational Nanotechnology: from Atomistic Simulation to Thermodynamic Models
2005 Annual Meeting
(676f) Predicting the Thermodynamic Properties of Mixed Solvent Electrolytes Using the SAFT-VR+DE Approach
2011 Annual Meeting
(229a) Application of the GC-SAFT-VR Equation to Predict Fluid Phase Behavior of Associating Systems
2009 Annual Meeting
(509e) Investigating the Role of the Cel7A Linker Peptide in Enzymatic Hydrolysis of Cellulose Chains: A Simulation Study
2009 Annual Meeting
(269e) Polyhedral Oligomeric Sislesquioxanes in Solution: Insights from All-Atom Molecular Dynamics Simulations
2005 Annual Meeting

Related Proceedings

2005 Annual Meeting2007 Annual Meeting2008 Spring Meeting & 4th Global Congress on Process Safety2009 Annual Meeting2010 Annual Meeting2011 Annual Meeting