Improvement of quality in publication of experimental thermophysical property data: Challenges, assessment tools, global implementation, and online support RD Chirico, M Frenkel, JW Magee, V Diky, CD Muzny, AF Kazakov, ... Journal of Chemical & Engineering Data 58 (10), 2699-2716, 2013 | 261 | 2013 |
Oscillatory behavior of double-walled nanotubes under extension: a simple nanoscale damped spring JL Rivera, C McCabe, PT Cummings Nano Letters 3 (8), 1001-1005, 2003 | 232 | 2003 |
Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion TC Moore, CR Iacovella, C McCabe The Journal of chemical physics 140 (22), 2014 | 217 | 2014 |
Molecular simulations of liquid-liquid interfacial properties: Water–n-alkane and water-methanol–n-alkane systems JL Rivera, C McCabe, PT Cummings Physical Review E 67 (1), 011603, 2003 | 212 | 2003 |
Coarse-grained molecular models of water: a review KR Hadley, C McCabe Molecular simulation 38 (8-9), 671-681, 2012 | 188 | 2012 |
SAFT-VR modelling of the phase equilibrium of long-chain n-alkanes C McCabe, G Jackson Physical Chemistry Chemical Physics 1 (9), 2057-2064, 1999 | 187 | 1999 |
Comparison of nonequilibrium molecular dynamics with experimental measurements in the nonlinear shear-thinning regime S Bair, C McCabe, PT Cummings Physical review letters 88 (5), 058302, 2002 | 174 | 2002 |
Predicting the high-pressure phase equilibria of binary mixtures of perfluoro-n-alkanes+ n-alkanes using the SAFT-VR approach C McCabe, A Galindo, A Gil-Villegas, G Jackson The Journal of Physical Chemistry B 102 (41), 8060-8069, 1998 | 142 | 1998 |
The oscillatory damped behaviour of incommensurate double-walled carbon nanotubes JL Rivera, C McCabe, PT Cummings Nanotechnology 16 (2), 186, 2004 | 141 | 2004 |
SAFT associating fluids and fluid mixtures C McCabe, A Galindo | 132 | 2010 |
Developing a predictive group-contribution-based SAFT-VR equation of state Y Peng, KD Goff, MC dos Ramos, C McCabe Fluid Phase Equilibria 277 (2), 131-144, 2009 | 131 | 2009 |
Application of crossover theory to the SAFT-VR equation of state: SAFT-VRX for pure fluids C McCabe, SB Kiselev Industrial & engineering chemistry research 43 (11), 2839-2851, 2004 | 125 | 2004 |
Applied thermodynamics of fluids D Browarzik, JPM Trusler, IG Economou, J Ely, C McCabe, A Galindo, ... Royal Society of Chemistry, 2010 | 122* | 2010 |
The O-glycosylated linker from the Trichoderma reesei Family 7 cellulase is a flexible, disordered protein GT Beckham, YJ Bomble, JF Matthews, CB Taylor, MG Resch, ... Biophysical journal 99 (11), 3773-3781, 2010 | 119 | 2010 |
Multiple functions of aromatic-carbohydrate interactions in a processive cellulase examined with molecular simulation CM Payne, YJ Bomble, CB Taylor, C McCabe, ME Himmel, MF Crowley, ... Journal of Biological Chemistry 286 (47), 41028-41035, 2011 | 115 | 2011 |
A crossover SAFT-VR equation of state for pure fluids: preliminary results for light hydrocarbons C McCabe, SB Kiselev Fluid Phase Equilibria 219 (1), 3-9, 2004 | 106 | 2004 |
Predicting the high-pressure phase equilibria of methane+ n-hexane using the SAFT-VR approach C McCabe, A Gil-Villegas, G Jackson The Journal of Physical Chemistry B 102 (21), 4183-4188, 1998 | 96 | 1998 |
Examining the adsorption (vapor− liquid equilibria) of short-chain hydrocarbons in low-density polyethylene with the SAFT-VR approach C McCabe, A Galindo, MN García-Lisbona, G Jackson Industrial & engineering chemistry research 40 (17), 3835-3842, 2001 | 86 | 2001 |
Simulation study of the structure and phase behavior of ceramide bilayers and the role of lipid headgroup chemistry S Guo, TC Moore, CR Iacovella, LA Strickland, C McCabe Journal of chemical theory and computation 9 (11), 5116-5126, 2013 | 85 | 2013 |
The thermodynamics of heteronuclear molecules formed from bonded square-well (BSW) segments using the SAFT-VR approach C McCABE, A Gil-Villegas, G Jackson, F Del Rio Molecular Physics 97 (4), 551-558, 1999 | 84 | 1999 |