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Clare McCabe
Clare McCabe
Heriot Watt University
Verifisert e-postadresse på hw.ac.uk
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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
2772013
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
2372003
Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion
TC Moore, CR Iacovella, C McCabe
The Journal of chemical physics 140 (22), 2014
2292014
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
2172003
Coarse-grained molecular models of water: a review
KR Hadley, C McCabe
Molecular simulation 38 (8-9), 671-681, 2012
1902012
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
1871999
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
1772002
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
1451998
The oscillatory damped behaviour of incommensurate double-walled carbon nanotubes
JL Rivera, C McCabe, PT Cummings
Nanotechnology 16 (2), 186, 2004
1442004
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
1362009
SAFT associating fluids and fluid mixtures
C McCabe, A Galindo
1352010
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
1262004
Applied thermodynamics of fluids
D Browarzik, JPM Trusler, IG Economou, J Ely, C McCabe, A Galindo, ...
Royal Society of Chemistry, 2010
122*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
1192011
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
1192010
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
1072004
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
951998
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
902013
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
881999
On the investigation of coarse-grained models for water: balancing computational efficiency and the retention of structural properties
KR Hadley, C McCabe
The Journal of Physical Chemistry B 114 (13), 4590-4599, 2010
872010
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Artikler 1–20