[22] Huber, M.T.; Stubbs, J.M. `Prediction of binary phase behavior for supercritical carbon dioxide + 1-pentanol, 2-pentanone, 1-octene or ethylbenzene via molecular simulation,' J. Mol. Liq., accepted for publication 10.1016/j.molliq.2017.06.074

[21] Stubbs, J.M. `Molecular simulations of supercritical fluid systems,' J. Supercrit. Fluids, 108, 104-122 (2016) 10.1016/j.supflu.2015.10.027

[20] Cooper, S.J.; Stubbs, J.M. `The effect of unequal strand length on short DNA duplex hybridization in a model microarray system: A Monte Carlo simulation study,' Chem. Phys. Lett., 634, 230-235 (2015) 10.1016/j.cplett.2015.06.024

[19] Stubbs, J.M. `Solute extraction via supercritical ethane from poly(ethylene glycol): A Monte Carlo simulation study,' Fluid Phase Equilib., 360, 351-356 (2013) 10.1016/j.fluid.2013.09.055

[18] Huber, M.T.; Stubbs, J.M. `The influence of carbon dioxide cosolvent on solubility in poly(ethylene glycol),' Theor. Chem. Acc., 131, 1276(1-6) (2012) 10.1007/s00214-012-1276-x

[17] Bayron, J.A.; Deveau, A.M.; Stubbs, J.M. `Conformational analysis of 6alpha- and 6beta-naltrexol and derivatives and relationship to opioid receptor affinity,' J. Chem. Inf. Model., 52, 391-395 (2012) 10.1021/ci200405u

[16] Stubbs, J.M. `Monte Carlo simulation of solute extraction via supercritical carbon dioxide from poly(ethylene glycol),' Fluid Phase Equilib., 305, 76-82 (2011) 10.1016/j.fluid.2011.03.014

[15] Allen, J.H.; Schoch, E.T.; Stubbs, J.M. `Effect of surface binding on heterogeneous DNA melting equilibria: A Monte Carlo simulation study,' J. Phys. Chem. B, 115, 1720-1726 (2011) 10.1021/jp111347p

[14] Tito, N.B.; Stubbs, J.M. `Application of a coarse-grained model for DNA to homo- and heterogeneous melting equilibria,' Chem. Phys. Lett., 485, 354-359 (2010) 10.1016/j.cplett.2009.12.079

[13] Wang, S.; Stubbs, J.M.; Siepmann, J.I.; Sandler, S.I. `Effects of conformational distributions on sigma profiles in COSMO theories,' J. Phys. Chem. A, 109, 11285-11294 (2005) 10.1021/jp053859h

[12] Wick, C.D.; Stubbs, J.M.; Rai, N.; Siepmann, J.I. `Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine and pyrimidine,' J. Phys. Chem. B, 109, 18974-18982 (2005) 10.1021/jp0504827

[11] Stubbs, J.M.; Drake-Wilhelm, D.D.; Siepmann, J.I. `Partial molar volume and solvation structure of naphthalene in supercritical carbon dioxide: A Monte Carlo simulation study,' J. Phys. Chem. B, 109, 19885-19892 (2005) 10.1021/jp0502656

[10] Stubbs, J.M.; Siepmann, J.I. `Elucidating the vibrational spectra of hydrogen-bonded aggregates in solution: Electronic structure calculations with implicit solvent and first principles molecular dynamics simulations with explicit solvent for 1-hexanol in n-hexane,' J. Am. Chem. Soc. 127, 4722-4729 (2005) 10.1021/ja044380q

[9] Stubbs, J.M.; Marx, D. `Aspects of glycosidic bond formation in aqueous solution: Chemical bonding and the role of water,' Chem. Eur. J. 11, 2651-2659 (2005) 10.1002/chem.200400773

[8] Lee, J.S.; Wick, C.D.; Stubbs, J.M.; Siepmann, J.I. `Simulating the vapour-liquid equilibria of large cyclic alkanes,' Mol. Phys. 103, 99-104 (2005) 10.1080/00268970412331303341

[7] Stubbs, J.M.; Potoff, J.J.; Siepmann, J.I. `Transferable potentials for phase equilibria. 6. United-atom description of ethers, glycols, aldehydes and ketone,s' J. Phys. Chem. B 108, 17596-17605 (2004) 10.1021/jp049459w

[6] Stubbs, J.M.; Siepmann, J.I. `Binary phase behavior and aggregation of dilute methanol in supercritical carbon dioxide: A Monte Carlo simulation study,' J. Chem. Phys. 121, 1525-1534 (2004) 10.1063/1.1763842

[5] Stubbs, J.M.; Marx, D. `Glycosidic bond formation in aqueous solution: on the oxocarbenium intermediate,' J. Am. Chem. Soc. 125, 10960-10962 (2003) 10.1021/ja035600n

[4] Kirchner, B.; Stubbs, J.M.; Marx, D. `Fast anomalous diffusion of small hydrophobic species in water,' Phys. Rev. Lett. 89, 215901(1-4) (2002) 10.1103/PhysRevLett.89.215901

[3] Stubbs, J.M.; Siepmann, J.I. `Aggregation in dilute solutions of 1-hexanol in n-hexane: A Monte Carlo simulation study,' J. Phys. Chem. B 106, 3968-3978 (2002) 10.1021/jp013759l

[2] Cramer, C.J.; Kormos, B.L.; Winget, P.; Audette, V.M.; Beebe, J.M.; Brauer, C.S.; Burdick, W.R.; Cochran, E.W.; Eklov, B.M.; Giese, T.J.; Jun, Y.; Kesavan, L.S.D.; Kinsinger, C.R.; Minyaev, M.E.; Rajamani, R.; Salsbury, J.S.; Stubbs, J.M.; Surek, J.T.; Thompson, J.D.; Voelz, V.A.; Wick, C.D.; Zhang, L. `A cooperative molecular modeling exercise - The hypersurface as classroom', J. Chem. Ed. 78, 1202-1205 (2001) 10.1021/ed078p1202

[1] Stubbs, J.M.; Chen, B.; Potoff, J.J.; Siepmann, J.I. `Monte Carlo calculations for the phase equilibria of alkanes, alcohols, water, and their mixtures,' Fluid Phase Equilib. 183/184, 301-309 (2001) 10.1016/S0378-3812(01)00442-3