Density functional theory of nonuniform polyatomic systems. I. General formulation D Chandler, JD McCoy, SJ Singer The Journal of chemical physics 85 (10), 5971-5976, 1986 | 486 | 1986 |
Density functional theory of nonuniform polyatomic systems. II. Rational closures for integral equations D Chandler, JD McCoy, SJ Singer The Journal of chemical physics 85 (10), 5977-5982, 1986 | 257 | 1986 |
Local structure of polyethylene melts KG Honnell, JD McCoy, JG Curro, KS Schweizer, AH Narten, ... The Journal of chemical physics 94 (6), 4659-4662, 1991 | 124 | 1991 |
Conjectures on the glass transition of polymers in confined geometries JD McCoy, JG Curro The Journal of chemical physics 116 (21), 9154-9157, 2002 | 104 | 2002 |
Density functional theory of freezing: Analysis of crystal density BB Laird, JD McCoy, ADJ Haymet The Journal of chemical physics 87 (9), 5449-5456, 1987 | 95 | 1987 |
Computational modeling of the temperature-induced structural changes of tethered poly (N-isopropylacrylamide) with self-consistent field theory S Mendez, JG Curro, JD McCoy, GP Lopez Macromolecules 38 (1), 174-181, 2005 | 86 | 2005 |
Mapping of explicit atom onto united atom potentials JD McCoy, JG Curro Macromolecules 31 (26), 9362-9368, 1998 | 84 | 1998 |
Density functional theory of simple polymers in a slit pore. I. Theory and efficient algorithm JB Hooper, JD McCoy, JG Curro The Journal of Chemical Physics 112 (6), 3090-3093, 2000 | 82 | 2000 |
A density functional theory for pair correlation functions in molecular liquids JP Donley, JG Curro, JD McCoy The Journal of chemical physics 101 (4), 3205-3215, 1994 | 77 | 1994 |
A density functional treatment of the hard dumbbell freezing transition JD McCoy, SJ Singer, D Chandler The Journal of chemical physics 87 (8), 4853-4858, 1987 | 77 | 1987 |
Cure mechanisms of diglycidyl ether of bisphenol A (DGEBA) epoxy with diethanolamine JD McCoy, WB Ancipink, CM Clarkson, JM Kropka, MC Celina, NH Giron, ... Polymer 105, 243-254, 2016 | 74 | 2016 |
The structure of a rotational isomeric state alkane melt near a hard wall S Sen, JM Cohen, JD McCoy, JG Curro The Journal of chemical physics 101 (10), 9010-9015, 1994 | 73 | 1994 |
Crystallization of polyethylene and polytetrafluoroethylene by density‐functional methods JD McCoy, KG Honnell, KS Schweizer, JG Curro The Journal of chemical physics 95 (12), 9348-9366, 1991 | 65 | 1991 |
Microscopic equations of state of polyethylene: Hard‐chain contribution to the pressure A Yethiraj, JG Curro, KS Schweizer, JD McCoy The Journal of chemical physics 98 (2), 1635-1646, 1993 | 62 | 1993 |
Density functional theory for inhomogeneous polymer systems. I. Numerical methods AL Frischknecht, JD Weinhold, AG Salinger, JG Curro, LJ Douglas Frink, ... The Journal of chemical physics 117 (22), 10385-10397, 2002 | 54 | 2002 |
Application of density functional theory to tethered polymer chains: Effect of intermolecular attractions Y Ye, JD McCoy, JG Curro The Journal of chemical physics 119 (1), 555-564, 2003 | 49 | 2003 |
Application of density functional theory to tethered polymer chains: Athermal systems JD McCoy, Y Ye, JG Curro The Journal of chemical physics 117 (6), 2975-2986, 2002 | 49 | 2002 |
Diffraction by macromolecular fluids AH Narten, A Habenschuss, KG Honnell, JD McCoy, JG Curro, ... Journal of the Chemical Society, Faraday Transactions 88 (13), 1791-1795, 1992 | 49 | 1992 |
Potential energy clock model: Justification and challenging predictions DB Adolf, RS Chambers, J Flemming, J Budzien, J McCoy Journal of Rheology 51 (3), 517-540, 2007 | 48 | 2007 |
Density functional theory of simple polymers in a slit pore. II. The role of compressibility and field type JB Hooper, MT Pileggi, JD McCoy, JG Curro, JD Weinhold The Journal of Chemical Physics 112 (6), 3094-3103, 2000 | 47 | 2000 |