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Items: 1 to 50 of 80

1.

Erratum: "Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute" [J. Chem. Phys. 147, 124505 (2017)].

Bansal A, Chapman WG, Asthagiri D.

J Chem Phys. 2017 Nov 21;147(19):199901. doi: 10.1063/1.5009414. No abstract available.

PMID:
29166103
2.

Mini-grand canonical ensemble: Chemical potential in the solvation shell.

Dixit PD, Bansal A, Chapman WG, Asthagiri D.

J Chem Phys. 2017 Oct 28;147(16):164901. doi: 10.1063/1.4993178.

PMID:
29096517
3.

Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute.

Bansal A, Chapman WG, Asthagiri D.

J Chem Phys. 2017 Sep 28;147(12):124505. doi: 10.1063/1.4997663.

PMID:
28964010
4.

Adsorption and Phase Behavior of Pure/Mixed Alkanes in Nanoslit Graphite Pores: An iSAFT Application.

Liu J, Wang L, Xi S, Asthagiri D, Chapman WG.

Langmuir. 2017 Oct 24;33(42):11189-11202. doi: 10.1021/acs.langmuir.7b02055. Epub 2017 Sep 12.

PMID:
28859477
5.

Electrostatic and induction effects in the solubility of water in alkanes.

Asthagiri D, Valiya Parambathu A, Ballal D, Chapman WG.

J Chem Phys. 2017 Aug 21;147(7):074506. doi: 10.1063/1.4997916.

PMID:
28830171
6.

Surface complexation modeling of calcite zeta potential measurements in brines with mixed potential determining ions (Ca2+, CO32-, Mg2+, SO42-) for characterizing carbonate wettability.

Song J, Zeng Y, Wang L, Duan X, Puerto M, Chapman WG, Biswal SL, Hirasaki GJ.

J Colloid Interface Sci. 2017 Nov 15;506:169-179. doi: 10.1016/j.jcis.2017.06.096. Epub 2017 Jul 11.

PMID:
28735190
7.

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information.

Bansal A, Valiya Parambathu A, Asthagiri D, Cox KR, Chapman WG.

J Chem Phys. 2017 Apr 28;146(16):164904. doi: 10.1063/1.4981913.

PMID:
28456194
8.

Modeling micelle formation and interfacial properties with iSAFT classical density functional theory.

Wang L, Haghmoradi A, Liu J, Xi S, Hirasaki GJ, Miller CA, Chapman WG.

J Chem Phys. 2017 Mar 28;146(12):124705. doi: 10.1063/1.4978503.

PMID:
28388160
9.

Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water.

Singer PM, Asthagiri D, Chapman WG, Hirasaki GJ.

J Magn Reson. 2017 Apr;277:15-24. doi: 10.1016/j.jmr.2017.02.001. Epub 2017 Feb 3.

PMID:
28189994
10.

A density functional theory for association of fluid molecules with a functionalized surface: fluid-wall single and double bonding.

Haghmoradi A, Wang L, Chapman WG.

J Phys Condens Matter. 2017 Feb 1;29(4):044002. Epub 2016 Nov 29.

PMID:
27897149
11.

Structure and thermodynamics of a mixture of patchy and spherical colloids: A multi-body association theory with complete reference fluid information.

Bansal A, Asthagiri D, Cox KR, Chapman WG.

J Chem Phys. 2016 Aug 21;145(7):074904. doi: 10.1063/1.4960985.

PMID:
27544123
12.

A density functional theory for colloids with two multiple bonding associating sites.

Haghmoradi A, Wang L, Chapman WG.

J Phys Condens Matter. 2016 Jun 22;28(24):244009. doi: 10.1088/0953-8984/28/24/244009. Epub 2016 Apr 26.

PMID:
27115237
13.

Response to "Comment on 'Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions"' [J. Chem. Phys. 144, 137101 (2016)].

Asthagiri D, Ballal D, Venkataraman P, Fouad WA, Cox KR, Chapman WG.

J Chem Phys. 2016 Apr 7;144(13):137102. doi: 10.1063/1.4944979. No abstract available.

PMID:
27059591
14.

Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Cross-Association.

Fouad WA, Wang L, Haghmoradi A, Asthagiri D, Chapman WG.

J Phys Chem B. 2016 Apr 7;120(13):3388-402. doi: 10.1021/acs.jpcb.5b12375. Epub 2016 Mar 23.

PMID:
26979297
15.

Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Self Association.

Fouad WA, Wang L, Haghmoradi A, Gupta SK, Chapman WG.

J Phys Chem B. 2015 Nov 5;119(44):14086-101. doi: 10.1021/acs.jpcb.5b08285. Epub 2015 Oct 27.

PMID:
26477752
16.

Competition between Intra- and Intermolecular Association of Chain Molecules with Water-like Solvent.

Ballal D, Chapman WG.

J Phys Chem B. 2015 Jun 4;119(22):6792-802. doi: 10.1021/acs.jpcb.5b00766. Epub 2015 May 22.

PMID:
25955880
17.

Subjective memory complaint only relates to verbal episodic memory performance in mild cognitive impairment.

Gifford KA, Liu D, Damon SM, Chapman WG 4th, Romano Iii RR, Samuels LR, Lu Z, Jefferson AL; Alzheimer’s Disease Neuroimaging Initiative.

J Alzheimers Dis. 2015;44(1):309-18. doi: 10.3233/JAD-140636.

18.

Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions.

Ballal D, Venkataraman P, Fouad WA, Cox KR, Chapman WG.

J Chem Phys. 2014 Aug 14;141(6):064905. doi: 10.1063/1.4892341.

PMID:
25134597
19.

Thermodynamic perturbation theory for self-assembling mixtures of divalent single patch colloids.

Marshall BD, Chapman WG.

Soft Matter. 2014 Jul 28;10(28):5168-76. doi: 10.1039/c4sm00586d.

PMID:
24910981
20.

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: effects of steric hindrance and ring formation.

Marshall BD, Haghmoradi A, Chapman WG.

J Chem Phys. 2014 Apr 28;140(16):164101. doi: 10.1063/1.4871307.

PMID:
24784247
21.

Shape-responsive liquid crystal elastomer bilayers.

Agrawal A, Yun T, Pesek SL, Chapman WG, Verduzco R.

Soft Matter. 2014 Mar 7;10(9):1411-5. doi: 10.1039/c3sm51654g.

PMID:
24651367
22.

Classical density functional theory for associating fluids in orienting external fields.

Marshall BD, Chapman WG, Telo da Gama MM.

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Dec;88(6):060301. Epub 2013 Dec 2.

PMID:
24483368
23.

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids.

Marshall BD, Chapman WG.

J Chem Phys. 2013 Dec 7;139(21):214106. doi: 10.1063/1.4834637.

PMID:
24320363
24.

Military mental health: the role of daily hassles while deployed.

Heron EA, Bryan CJ, Dougherty CA, Chapman WG.

J Nerv Ment Dis. 2013 Dec;201(12):1035-9. doi: 10.1097/NMD.0000000000000058.

PMID:
24284637
25.

Hydrophobic and hydrophilic interactions in aqueous mixtures of alcohols at a hydrophobic surface.

Ballal D, Chapman WG.

J Chem Phys. 2013 Sep 21;139(11):114706. doi: 10.1063/1.4821604.

PMID:
24070304
26.

Molecular theory for self assembling mixtures of patchy colloids and colloids with spherically symmetric attractions: the single patch case.

Marshall BD, Chapman WG.

J Chem Phys. 2013 Sep 14;139(10):104904. doi: 10.1063/1.4820417.

PMID:
24050362
27.

Modeling lower critical solution temperature behavior of associating polymer brushes with classical density functional theory.

Gong K, Marshall BD, Chapman WG.

J Chem Phys. 2013 Sep 7;139(9):094904. doi: 10.1063/1.4819957.

PMID:
24028130
28.

Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles.

Marshall BD, Chapman WG.

J Chem Phys. 2013 Aug 7;139(5):054902. doi: 10.1063/1.4816665. Erratum in: J Chem Phys. 2013 Aug 21;139(7):079903.

PMID:
23927279
29.

Second-order resummed thermodynamic perturbation theory for central-force associating potential: multi-patch colloidal models.

Kalyuzhnyi YV, Marshall BD, Chapman WG, Cummings PT.

J Chem Phys. 2013 Jul 28;139(4):044909. doi: 10.1063/1.4816128.

PMID:
23902021
30.

Thermodynamic perturbation theory for associating fluids with small bond angles: effects of steric hindrance, ring formation, and double bonding.

Marshall BD, Chapman WG.

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 May;87(5):052307. Epub 2013 May 22.

PMID:
23767540
31.

A Monte Carlo density functional theory for the competition between inter and intramolecular association in inhomogeneous fluids.

Marshall BD, García-Cuéllar AJ, Chapman WG.

J Chem Phys. 2013 May 28;138(20):204908. doi: 10.1063/1.4807587.

PMID:
23742517
32.

Three new branched chain equations of state based on Wertheim's perturbation theory.

Marshall BD, Chapman WG.

J Chem Phys. 2013 May 7;138(17):174109. doi: 10.1063/1.4803023.

PMID:
23656116
33.

Dynamic self-stiffening in liquid crystal elastomers.

Agrawal A, Chipara AC, Shamoo Y, Patra PK, Carey BJ, Ajayan PM, Chapman WG, Verduzco R.

Nat Commun. 2013;4:1739. doi: 10.1038/ncomms2772.

34.

A density functional theory for patchy colloids based on Wertheim's association theory: beyond the single bonding condition.

Marshall BD, Chapman WG.

J Chem Phys. 2013 Jan 28;138(4):044901. doi: 10.1063/1.4776759.

PMID:
23387619
35.

Response behavior of diblock copolymer brushes in explicit solvent.

Gong K, Marshall BD, Chapman WG.

J Chem Phys. 2012 Oct 21;137(15):154904. doi: 10.1063/1.4757860.

PMID:
23083188
36.

Wertheim's association theory applied to one site patchy colloids: beyond the single bonding condition.

Marshall BD, Ballal D, Chapman WG.

J Chem Phys. 2012 Sep 14;137(10):104909. doi: 10.1063/1.4751480. Erratum in: J Chem Phys. 2012 Sep 28;137(12):129902.

PMID:
22979892
37.

A perturbation density functional theory for the competition between inter and intramolecular association.

Marshall BD, García-Cuéllar AJ, Chapman WG.

J Chem Phys. 2012 Apr 21;136(15):154103. doi: 10.1063/1.3703015.

PMID:
22519311
38.

Effect of bond rigidity and molecular structure on the self-assembly of amphiphilic molecules using second-order classical density functional theory.

Marshall BD, Emborsky C, Cox K, Chapman WG.

J Phys Chem B. 2012 Mar 8;116(9):2730-8. doi: 10.1021/jp2101368. Epub 2012 Feb 28. Erratum in: J Phys Chem B. 2012 Apr 19;116(15):4712.

PMID:
22313423
39.

Solvent response of mixed polymer brushes.

Gong K, Chapman WG.

J Chem Phys. 2011 Dec 7;135(21):214901. doi: 10.1063/1.3657830.

PMID:
22149811
40.

Higher order classical density functional theory for branched chains and rings.

Marshall BD, Chapman WG.

J Phys Chem B. 2011 Dec 22;115(50):15036-47. doi: 10.1021/jp2078677. Epub 2011 Nov 22.

PMID:
22044121
41.

Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces.

Emborsky CP, Cox KR, Chapman WG.

J Chem Phys. 2011 Aug 28;135(8):084708. doi: 10.1063/1.3628452.

PMID:
21895214
42.

An iSAFT density functional theory for associating polyatomic molecules.

Bymaster A, Chapman WG.

J Phys Chem B. 2010 Sep 30;114(38):12298-307. doi: 10.1021/jp102677m.

PMID:
20825211
43.

Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory.

Jain S, Ginzburg VV, Jog P, Weinhold J, Srivastava R, Chapman WG.

J Chem Phys. 2009 Jul 28;131(4):044908. doi: 10.1063/1.3177009.

PMID:
19655920
44.

Molecular dynamics simulation of oxygen transport through omega-alkoxy-n-alkanethiolate self-assembled monolayers on gold and copper.

Srivastava P, Chapman WG, Laibinis PE.

Langmuir. 2009 Mar 3;25(5):2689-95. doi: 10.1021/la803423a.

PMID:
19437691
45.

Application of low field NMR T2 measurements to clathrate hydrates.

Gao S, Chapman WG, House W.

J Magn Reson. 2009 Apr;197(2):208-12. doi: 10.1016/j.jmr.2008.12.022. Epub 2009 Jan 13.

PMID:
19201233
46.

Molecular dynamics simulation of oxygen transport through n-alkanethiolate self-assembled monolayers on gold and copper.

Srivastava P, Chapman WG, Laibinis PE.

J Phys Chem B. 2009 Jan 15;113(2):456-64. doi: 10.1021/jp807288e.

PMID:
19099425
47.

Microstructure and depletion forces in polymer-colloid mixtures from an interfacial statistical associating fluid theory.

Bymaster A, Jain S, Chapman WG.

J Chem Phys. 2008 Apr 28;128(16):164910. doi: 10.1063/1.2909975.

PMID:
18447503
48.

Modified interfacial statistical associating fluid theory: application to tethered polymer chains.

Jain S, Jog P, Weinhold J, Srivastava R, Chapman WG.

J Chem Phys. 2008 Apr 21;128(15):154910. doi: 10.1063/1.2902976.

PMID:
18433280
49.

Modified interfacial statistical associating fluid theory: a perturbation density functional theory for inhomogeneous complex fluids.

Jain S, Dominik A, Chapman WG.

J Chem Phys. 2007 Dec 28;127(24):244904. doi: 10.1063/1.2806932.

PMID:
18163703
50.

Water in oil emulsion droplet size characterization using a pulsed field gradient with diffusion editing (PFG-DE) NMR technique.

Aichele CP, Flaum M, Jiang T, Hirasaki GJ, Chapman WG.

J Colloid Interface Sci. 2007 Nov 15;315(2):607-19. Epub 2007 Jul 28.

PMID:
17716679

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