Publications listed by year
B. T. McReynolds, S. Chowdhury, J. D. McCoy, Y. Lee
Macromolecules 57(12), 5620 (2024)
S. J. Comeau, J. D. McCoy, J. M. Kropka
Polymer Degradation and Stability 216, 110473 (2023)
B.T. McReynolds, K. D. Mojtabai, N. Penners,G. Kim, S. Lindholm, Y. Lee,J. D. McCoy, S. Chowdhury
Polymers 15(5), 1106 (2023)
K.D. Mojtabai, S.J. Lindholm, B.T. McReynolds, N.Penners, J.D. McCoy, S. Chowdhury, Y. Lee
ACS Appl. Polym. Mater. 4, 4, 2703鈥�2711 (2022)
R.V. Morgan, B. McReynolds, K. Husmann, J.D. McCoy, R.N. Maki, R.M. Holguin, J.D. Bernardin, A.A. Siranosian
Technical Report LA-UR-20-25195 (2020)
C.S. Stevenson, J.G. Curro, J.D. McCoy
J. Chem. Phys. 153, 244903 (2020)
G.K. Arechederra, J.D. McCoy, J.M. Kropka
Polymer 185, 121937 (2019).
J.D. McCoy, W.B. Ancipink, S.R. Maestas, L.R. Draelos, D.B. Devries, J.M. Kropka
Thermochimica Acta 671, 149 (2019)
G.K. Arechederra, L.R. Draelos, W.B. Ancipink, J.D. McCoy, J. M. Kropka
Thermochimica Acta 656, 144 (2017)
C. S. Stevenson, J. G. Curro, J. D. McCoy
J. Chem. Phys. 146, 203322 (2017)
C. M. Clarkson, J. D. McCoy, J. M. Kropka
Polymer 94, 19 (2016).
J. D. McCoy, W. B. Ancipink, C. M. Clarkson, J. M. Kropka, M. C. Celina, N. H. Giron, L. Hailesilassie,
N. Fredj
Polymer 105, 243 (2016).
S. M. Waters, J. D. McCoy, A. L. Frischknecht, and J. R. Brown
J. Chem. Phys. 140, 014902 (2014).
J. Budzien, J. V. Heffernan, and J. D. McCoy
J. Chem. Phys. 139, 244501 (2013).
J. R. Brown, and J. D. McCoy
J. Chem. Phys. 137, 244504 (2012).
J. R. Brown, and J. D. McCoy
J. Chem. Phys. 134, 194503 (2011).
J. R. Brown, J. D. McCoy, and B. Borchers
J. Chem. Phys. 133, 064508 (2010).
T. C. Dotson, J. Budzien, J. D. McCoy and D. B. Adolf
J. Chem. Phys. 130, 024903 (2009).
J. D. McCoy and J. G. Curro
J. Chem. Phys. 130, 194708 (2009)
S. Mendez, B.P. Andrzejewski, H E. Canavan, D.J. Keller, J. D. McCoy, G. P. Lopez, J. G. Curro,
Langmuir 25,10624 (2009).
J. R. Brown, J. D. McCoy, and D. B. Adolf
J. Chem. Phys. 131, 104507 (2009).
T. C. Dotson, J. V. Heffernan, J. Budzien, K. T. Dotson, F. Avila, D. T. Limmer, D. T. McCoy, J. D. McCoy and D. B. Adolf
J. Chem. Phys. 128, 184905 (2008).
J. V. Heffernan, J. Budzien, A. T. Wilson, R. J. Baca, V. J. Aston, F. Avila, J. D. McCoy and D. B. Adolf
J. Chem. Phys. 126, 184904 (2007).
D. B. Adolf, R. S. Chambers, J. Flemming, J. L. Budzien, and J.D. McCoy,
J. Rheology 51, 517 (2007).
J. V. Heffernan, J. Budzien, F. Avila, T. C. Dotson, V. J. Aston, J. D. McCoy and D. B. Adolf
J. Chem. Phys. 127, 214902 (2007).
J. D. McCoy and J. G. Curro
J. Chem. Phys. 122, 164905 (2005).
S. K. Nath, J. G. Curro and J. D. McCoy
J. Phys. Chem. B 109, 6620 (2005).
S. Mendez, J. G. Curro, J. D. McCoy and G. P. Lopez
Macromolecules 38, 174 (2005).
S.K. Nath, A.L. Frischknecht, J.G. Curro and J.D. McCoy
Macromolecules 38, 8562 (2005).
J. Budzien, J.D. McCoy, and D.B. Adolf
J. Chem. Phys. 121, 10291 (2004).
J. Budzien, J. D. McCoy, D. Rottach, J. G. Curro
Polymer 45, 3923 (2004).
F. F. Stewart, C. J. Orme, M. K. Harrup, R. P. Lash, D. H. Weinkauf, J. D. McCoy
ACS Symposium Series, Vol. 876, Chap 12, 177 (2004)
M. Tsige, J. G. Curro, G. S. Grest, and J.D. McCoy
Macromolecules 36, 2158 (2003).
Y. Ye, J.D. McCoy, and J. G. Curro
J. Chem. Phys. 119, 555 (2003).
J. Budzien, J.D. McCoy, and D.B. Adolf
J. Chem. Phys. 119, 9269 (2003).
J. G. Curro, J. D. McCoy, and Y. Ye*
Sandia Report SAND2003-3869 (2003).
J. D. McCoy and J.G. Curro.
J. Chem. Phys. 116, 9154 (2002).
J.D. McCoy, Y. Ye, and J.G. Curro,
J. Chem. Phys. 117, 2975 (2002).
A.L. Frischknecht, J.D. Weinhold, A.G. Salinger, J.G. Curro, L.J.D. Frink
and J.D. McCoy
J. Chem. Phys. 117, 10385 (2002).
J. D. McCoy, M. A. Teixeira, and J. G. Curro
J. Chem. Phys. 114, 4289 (2001).
J. G. Curro, D. Rottach and J. D. McCoy
Sandia Report SAND2001-0171 (2001).
J. G. Curro, J. D. McCoy, A. L. Frischknecht, and K. Yu
Sandia Report SAND2001-3417 (2001).
J.B. Hooper, J. D. McCoy, and J. G. Curro
J. Chem. Phys. 112, 3090 (2000).
J.B. Hooper, M. T. Pileggi, J. D. McCoy, J. G. Curro and J. D. Weinhold
J. Chem. Phys. 112, 3094 (2000).
J.B. Hooper, J. D. McCoy, J. G. Curro and F. van Swol
J. Chem. Phys. 113, 2021 (2000).
T.S. Weeks, D. Adolf, and J.D. McCoy
Macromolecules 32, 1918-1922 (1999).
J. G. Curro, E. B. Webb III, G.S. Grest, J. D. Weinhold, M. Puetz, and J.D. McCoy
J. Chem. Phys. 111, 9073-9081 (1999).
D. R. Rottach, P. A. Tillman, J. D. McCoy, S. J. Plimpton and J. G. Curro
J. Chem. Phys. 111, 9822-9831 (1999).
J.D. McCoy, S.K. Nath, J.G. Curro, and R. S. Saunders
The Interfacial Thickness of Symmetric Diblock Copolymers:
Theory and Experiment.
J. Chem. Phys. 108, 3023- 3027 (1998).
J.G. Curro, J. D. Weinhold, J.D. McCoy, and A. Yethiraj
The Structure of Amorphous Polymers Near Surfaces: Athermal Systems.
Theor. Comp. Polym. Sci. 8, 159-168 (1998)
J.L. Budzien, J.D. McCoy, D.H. Weinkauf, R.A. Laviolette, and E.S. Peterson
The Solubility of Gases in Amorphous Polyethylene.
Macromolecules 31, 3368-3371 (1998).
P. A. Tillman, D.R. Rottach, J.D. McCoy, S. J. Plimpton, and J.G. Curro
The Structure and Thermodynamics of Energetically and
Structurally Asymmetric Polymer Blends.
J. Chem. Phys. 109, 806-814 (1998).
J.L. Budzien, J.D. McCoy, J. G. Curro, R.A. Laviolette, and E.S. Peterson
The solubility of gases in polyethylene:
Integral equation study of standard molecular models.
Macromolecules 31,6669-6675 (1998).
Correction: Macromolecules 31,8653-8654 (1998).
J.D. McCoy, and J. G. Curro,
The mapping of explicit atom onto united atom potentials.
Macromolecules 31,9362-9368 (1998).
S.K. Nath, J.D. McCoy, J. G. Curro, and R. S. Saunders
The Ordering of Symmetric Diblock Copolymers:
A Comparison of Self-Consistent-Field and Density Functional Approaches.
J. Chem. Phys. 106, 1950 - 1960 (1997).
J.G. Curro, K.G. Honnell, and J.D. McCoy
Theory for the Solubility of Gases in Polymers: Application to Monatomic Solutes.
Macromolecules 30, 145 - 152 (1997).
P. A. Tillman, D.R. Rottach, J.D. McCoy, S. J. Plimpton, and J.G. Curro
The Effect of Attractions on the Structure and Thermodynamics in Model Polymer Blends.
J. Chem. Phys. 107, 4024 -4032 (1997).
J.D. McCoy and S.K. Nath
Inhomogeneous Rotational Isomeric State Polyethylene and Alkane Systems
in Chemical Applications of Density-Functional Theory,
pp. 246 - 260,
edited by, B.B. Laird, R. B. Ross and T. Ziegler,
(American Chemical Society, Washington, 1996),
S. Rick, J.D. McCoy, and A.D.J. Haymet,
Density Functional Theory of Quantum Freezing and the Helium Isotopes.
in Chemical Applications of Density-Functional Theory,
pp. 286 - 296,
edited by, B.B. Laird, R. B. Ross and T. Ziegler,
(American Chemical Society, Washington, 1996).
S. Sen, J.D. McCoy, S.K. Nath, J.P. Donley, and J. G. Curro
The Structure of a Rotational Isomeric State Alkane Melt near a Hard Wall:
Comparison of Density Functional Theory with Related Theories.
J. Chem. Phys. 102, 3431 - 3439 (1995).
S.K. Nath, J.D. McCoy, and J. G. Curro,
Compressibility-Based Hard-Site Models of Linear Polyethylene
and the Normal Alkanes.
Macromolecules 28, 3275 - 3281 (1995).
J.D. McCoy, S. Mateas, M. Zorlu, and J. G. Curro,
The Role of Excluded Volume in Polyethylene Intermolecular Potentials.
J. Chem. Phys. 102, 8635 - 8641 (1995).
C.S. Stevenson, J.D. McCoy, S.J. Plimpton, and J. G. Curro,
Molecular Dynamics Simulations of Athermal Polymer Blends:
Finite System Size Considerations.
J. Chem. Phys. 103, 1200 - 1207 (1995).
C.S. Stevenson, J. G. Curro, J.D. McCoy, and S.J. Plimpton,
Molecular Dynamics Simulations of Athermal Polymer Blends:
Comparison with Integral Equation Theory.
J. Chem. Phys. 103, 1208 - 1215 (1995).
S.K. Nath, J.D. McCoy, J.P. Donley, and J. G. Curro,
A Modified Self-Consistent-Field theory:
Application to a Homopolymer Melt near a Hard Wall.
J. Chem. Phys. 103, 1635 - 1640 (1995).
J.P. Donley, J.J. Rajasekaran, J.D. McCoy, and J. G. Curro,
Microscopic Approach to Inhomogeneous Polymeric Liquids.
J. Chem. Phys. 103, 5061 - 5069 (1995).
S.K. Nath, J.D. McCoy, J. G. Curro, and R. S. Saunders
Density Functional Theory of Polymer-Polymer Phase Separation Behavior.
J. Polym. Sci. Part B 33, 2307-2317 (1995).
T. Weeks, M. Zorlu, J.D. McCoy, J. Deporter, and J.G. Curro,
Analysis of Polyolefin Blends by Differential Scanning Calorimetry:
Detectability of Polypropylene in High Density Polyethylene-Polypropylene Blends.
ANTEC 2281 - 2662 (1994).
J.P. Donley, J.G. Curro, and J.D. McCoy,
A Density Functional Theory for Pair correlation Functions in Molecular Liquids.
J. Chem. Phys. 101, 3205 - 3215 (1994).
S. Sen, J. M. Cohen, J.D. McCoy, and J. G. Curro
The Structure of a Rotational Isomeric State Alkane Melt near a Hard Wall.
J. Chem. Phys. 101, 9010 - 9015 (1994).
A. Yethiraj, J.G. Curro, K.S. Schweizer, and J.D. McCoy,
Microscopic Equations-of-State of Polyethylene:
Hard-Chain Contribution to the Pressure.
J. Chem. Phys. 98, 1635 - 1646 (1993).
J.G. Curro, A. Yethiraj, K.S. Schweizer, J.D. McCoy, and K.G. Honnell,
Microscopic Equations-of-State of Hydrocarbon Fluids:
Effect of Attractions and Comparison with Polyethylene Experiments.
Macromolecules 26, 2655 - 2662 (1993).
A.H. Narten, A. Habenschuss, K.G. Honnell, J.D. McCoy, J.G. Curro, and K.S. Schweizer,
Diffraction by Macromolecular Fluids.
Faraday Trans. Chem. Soc. 88, 1791 (1992).
J.D. McCoy, K.G. Honnell, K.S. Schweizer, J. G. Curro, and J. Dana Honeycutt,
Single-Chain Structure in Model Polyethylene Melts.
Macromolecules 25, 4905 (1992).
J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J.G. Curro,
Polymer Crystallization: Density Functional Theory and Application to Polyethylene.
Chem. Phys. Lett. 179, 374 (1991).
K.G. Honnell, J.D. McCoy, J.G. Curro, K.S. Schweizer, A.H. Narten, and A. Habenschuss,
Local Structure of Polyethylene Melts.
J. Chem. Phys. 94, 4659-4662 (1991).
J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J. G. Curro,
Crystallization of Polyethylene and Polytetrafluoroethylene
by Density Functional Mehtods.
J. Chem. Phys. 95, 9348-9366 (1991).
J.D. McCoy, S. Rick, and A.D.J. Haymet,
Density Functional Theory of Freezing for Quantum Systems:
1. Path Integral Formulation of General Theory.
J. Chem. Phys. 92, 3034-3039 (1990).
S. Rick, J.D. McCoy, and A.D.J. Haymet,
Density Functional Theory of Freezing for Quantum Systems: 2. Application to Helium.
J. Chem. Phys. 92, 3040-3047 (1990).
J.D. McCoy, R. McRae, and A.D.J. Haymet,
Equilibrium Vacancy Concentration at Melting: The Density Functional Theory.
Chem. Phys. Lett. 169, 549-554 (1990).
R. McRae, J.D. McCoy,and A.D.J. Haymet,
Density Functional Theory of Vacancies.
J. Chem. Phys. 93, 4281-4289 (1990).
J.D. McCoy and A.D.J. Haymet,
Theory of Freezing: The Inhomogeneous Ornstein-Zernike Equation.
Int. J. Therm. 10, 87-100 (1989).
J.D. McCoy, S. Rick, and A.D.J. Haymet,
Freezing of Quantum Liquids.
J. Chem. Phys. 90, 4622-4623 (1989).
B.B. Laird, J.D. McCoy, and A.D.J. Haymet,
Density Functional Theory of Freezing for Hexagonal Symmetry:
Comparison with Landau Theory.
J. Chem. Phys. 88, 3900-3909 (1988).
B.B. Laird, J.D. McCoy, and A.D.J. Haymet,
Density Functional Theory of Freezing: Analysis of Crystal Density.
J. Chem. Phys. 87, 5449-5456 (1987).
J.D. McCoy, S.J. Singer, and D. Chandler,
A Density Functional Treatment of the Hard Dumbell Freezing Transition.
J. Chem. Phys. 87, 4853-4858 (1987).
D. Chandler, J.D. McCoy, and S.J. Singer,
"Density Functional Theory of Nonuniform Polyatomic Systems.
II. Rational Closures for Integral Equations."
J. Chem. Phys. 85, 5977-5975 (1986).
D. Chandler, J.D. McCoy, and S.J. Singer,
Density Functional Theory of Nonuniform Polyatomic Systems.I. General Formulation.
J. Chem. Phys. 85, 5971-5982 (1986).
Trans Effect in Octahedral Complexes. 4. Kinetic Trans Effect Induced by the S-Bonded Thiosulfatato Ligand in Bis(ethylenediamine)cobalt(III) Complexes." Inorganic Chemistry 19, 2265-2271 (1980).