| Year |
Citation |
Score |
| 2023 |
Kanhaiya K, Nathanson M, In 't Veld PJ, Zhu C, Nikiforov I, Tadmor EB, Choi YK, Im W, Mishra RK, Heinz H. Accurate Force Fields for Atomistic Simulations of Oxides, Hydroxides, and Organic Hybrid Materials up to the Micrometer Scale. Journal of Chemical Theory and Computation. PMID 37962992 DOI: 10.1021/acs.jctc.3c00750 |
0.588 |
|
| 2023 |
Zhu C, Hoff SE, Hémadi M, Heinz H. Accurate and Ultrafast Simulation of Molecular Recognition and Assembly on Metal Surfaces in Four Dimensions. Acs Nano. PMID 37260141 DOI: 10.1021/acsnano.2c10953 |
0.386 |
|
| 2022 |
Kanhaiya K, Heinz H. Adsorption and Diffusion of Oxygen on Pure and Partially Oxidized Metal Surfaces in Ultrahigh Resolution. Nano Letters. 22: 5392-5400. PMID 35730668 DOI: 10.1021/acs.nanolett.2c00490 |
0.313 |
|
| 2022 |
Liang D, Liu J, Heinz H, Mason SE, Hamers RJ, Cui Q. Binding of polar and hydrophobic molecules at the LiCoO (001)-water interface: force field development and molecular dynamics simulations. Nanoscale. PMID 35470836 DOI: 10.1039/d2nr00672c |
0.341 |
|
| 2021 |
Choi YK, Kern NR, Kim S, Kanhaiya K, Afshar Y, Jeon SH, Jo S, Brooks BR, Lee J, Tadmor EB, Heinz H, Im W. CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems. Journal of Chemical Theory and Computation. PMID 34871001 DOI: 10.1021/acs.jctc.1c00996 |
0.328 |
|
| 2021 |
Hoff SE, Liu J, Heinz H. Binding mechanism and binding free energy of amino acids and citrate to hydroxyapatite surfaces as a function of crystallographic facet, pH, and electrolytes. Journal of Colloid and Interface Science. 605: 685-700. PMID 34365305 DOI: 10.1016/j.jcis.2021.07.109 |
0.326 |
|
| 2021 |
Wang S, Hou K, Heinz H. Accurate and Compatible Force Fields for Molecular Oxygen, Nitrogen, and Hydrogen to Simulate Gases, Electrolytes, and Heterogeneous Interfaces. Journal of Chemical Theory and Computation. PMID 34255965 DOI: 10.1021/acs.jctc.0c01132 |
0.322 |
|
| 2020 |
Liu J, Zeng J, Zhu C, Miao J, Huang Y, Heinz H. Interpretable molecular models for molybdenum disulfide and insight into selective peptide recognition. Chemical Science. 11: 8708-8722. PMID 34094188 DOI: 10.1039/d0sc01443e |
0.391 |
|
| 2020 |
Ma YX, Hoff SE, Huang XQ, Liu J, Wan QQ, Song Q, Gu JT, Heinz H, Tay FR, Niu LN. Involvement of prenucleation clusters in calcium phosphate mineralization of collagen. Acta Biomaterialia. PMID 32711082 DOI: 10.1016/J.Actbio.2020.07.038 |
0.323 |
|
| 2020 |
Liu J, Zeng J, Zhu C, Miao J, Huang Y, Heinz H. Interpretable molecular models for molybdenum disulfide and insight into selective peptide recognition Chemical Science. 11: 8708-8722. DOI: 10.1039/D0Sc01443E |
0.487 |
|
| 2020 |
Jamil T, Javadi A, Heinz H. Mechanism of molecular interaction of acrylate-polyethylene glycol acrylate copolymers with calcium silicate hydrate surfaces Green Chemistry. 22: 1577-1593. DOI: 10.1039/C9Gc03287H |
0.426 |
|
| 2020 |
Mark LO, Zhu C, Medlin JW, Heinz H. Understanding the Surface Reactivity of Ligand-Protected Metal Nanoparticles for Biomass Upgrading Acs Catalysis. 10: 5462-5474. DOI: 10.1021/Acscatal.9B04772 |
0.319 |
|
| 2020 |
Dhakane A, Varshney V, Liu J, Heinz H, Jain A. Molecular Dynamics Simulations of Separator-Cathode Interfacial Thermal Transport in a Li-ion Cell Surfaces and Interfaces. 100674. DOI: 10.1016/J.Surfin.2020.100674 |
0.3 |
|
| 2020 |
Dharmawardhana CC, Zhou J, Taylor M, Miao J, Perepezko JH, Heinz H. Reactive modeling of Mo3Si oxidation and resulting silica morphology Acta Materialia. 187: 93-102. DOI: 10.1016/J.Actamat.2020.01.048 |
0.332 |
|
| 2019 |
Zhou J, Yang Y, Yang Y, Kim DS, Yuan A, Tian X, Ophus C, Sun F, Schmid AK, Nathanson M, Heinz H, An Q, Zeng H, Ercius P, Miao J. Observing crystal nucleation in four dimensions using atomic electron tomography. Nature. 570: 500-503. PMID 31243385 DOI: 10.1038/S41586-019-1317-X |
0.352 |
|
| 2019 |
Jamil T, Gissinger JR, Garley A, Saikia N, Upadhyay AK, Heinz H. Dynamics of carbohydrate strands in water and interactions with clay minerals: influence of pH, surface chemistry, and electrolytes. Nanoscale. PMID 31150033 DOI: 10.1039/C9Nr01867K |
0.4 |
|
| 2019 |
Stewart RJ, Goyal S, Lee SH, Rammohan A, Park HH, Min K, Cho E, Heinz H. Constructing surface models of silicate glasses using molecular dynamics to understand the effect of pH on the hydration properties. The Journal of Chemical Physics. 150: 174703. PMID 31067871 DOI: 10.1063/1.5084334 |
0.441 |
|
| 2019 |
Oliver D, Michaelis M, Heinz H, Volkov VV, Perry CC. From phage display to structure: an interplay of enthalpy and entropy in the binding of the LDHSLHS polypeptide to silica. Physical Chemistry Chemical Physics : Pccp. PMID 30747204 DOI: 10.1039/C8Cp07011C |
0.419 |
|
| 2018 |
Chen J, Zhu E, Liu J, Zhang S, Lin Z, Duan X, Heinz H, Huang Y, De Yoreo JJ. Building two-dimensional materials one row at a time: Avoiding the nucleation barrier. Science (New York, N.Y.). 362: 1135-1139. PMID 30523105 DOI: 10.1126/Science.Aau4146 |
0.396 |
|
| 2018 |
Zhu E, Wang S, Yan X, Sobani M, Ruan L, Wang C, Liu Y, Duan X, Heinz H, Huang Y. Long-range hierarchical nanocrystal assembly driven by molecular structural transformation. Journal of the American Chemical Society. PMID 30475606 DOI: 10.1021/Jacs.8B08023 |
0.325 |
|
| 2018 |
Nathanson M, Kanhaiya K, Pryor A, Miao J, Heinz H. Atomic-Scale Structure and Stress Release Mechanism in Core-Shell Nanoparticles. Acs Nano. PMID 30457827 DOI: 10.1021/Acsnano.8B06118 |
0.324 |
|
| 2018 |
Rabada AS, Michaelis M, Oliver DJ, Roe M, Colombi Ciacchi L, Heinz H, Perry CC. Interactions at the Silica-Peptide Interface: Influence of the Extent of Functionalization on the Conformational Ensemble. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29924624 DOI: 10.1021/Acs.Langmuir.8B00874 |
0.412 |
|
| 2018 |
Geada IL, Ramezani-Dakhel H, Jamil T, Sulpizi M, Heinz H. Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard-Jones potential. Nature Communications. 9: 716. PMID 29459638 DOI: 10.1038/S41467-018-03137-8 |
0.44 |
|
| 2018 |
Liu J, Tennessen E, Miao J, Huang Y, Rondinelli JM, Heinz H. Understanding Chemical Bonding in Alloys and the Representation in Atomistic Simulations The Journal of Physical Chemistry C. 122: 14996-15009. DOI: 10.1021/Acs.Jpcc.8B01891 |
0.351 |
|
| 2018 |
Mark LO, Jenkins AH, Heinz H, Medlin JW. Furfuryl alcohol deoxygenation, decarbonylation, and ring-opening on Pt(111) Surface Science. 677: 333-340. DOI: 10.1016/J.Susc.2018.07.001 |
0.305 |
|
| 2018 |
Pramanik C, Nepal D, Nathanson M, Gissinger JR, Garley A, Berry RJ, Davijani A, Kumar S, Heinz H. Molecular engineering of interphases in polymer/carbon nanotube composites to reach the limits of mechanical performance Composites Science and Technology. 166: 86-94. DOI: 10.1016/J.Compscitech.2018.04.013 |
0.301 |
|
| 2018 |
Liu J, Wang Z, Zeng J, Heinz H. Molecular structure and assembly of peptide-derived nanomaterials Current Opinion in Green and Sustainable Chemistry. 12: 38-46. DOI: 10.1016/J.Cogsc.2018.05.007 |
0.455 |
|
| 2017 |
Gissinger JR, Pramanik C, Newcomb B, Kumar S, Heinz H. Nanoscale Structure-Property Relationships of Polyacrylonitrile/CNT Composites as a Function of Polymer Crystallinity and CNT Diameter. Acs Applied Materials & Interfaces. PMID 29231715 DOI: 10.1021/Acsami.7B09739 |
0.303 |
|
| 2017 |
Pramanik C, Gissinger JR, Kumar S, Heinz H. Carbon Nanotube Dispersion in Solvents and Polymer Solutions: Mechanisms, Assembly, and Preferences. Acs Nano. PMID 29179536 DOI: 10.1021/Acsnano.7B07684 |
0.328 |
|
| 2017 |
Mishra RK, Weibel M, Müller T, Heinz H, Flatt RJ. Energy-effective Grinding of Inorganic Solids Using Organic Additives. Chimia. 71: 451-460. PMID 28779768 DOI: 10.2533/Chimia.2017.451 |
0.557 |
|
| 2017 |
Ramezani-Dakhel H, Bedford NM, Woehl TJ, Knecht MR, Naik RR, Heinz H. Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control. Nanoscale. PMID 28604905 DOI: 10.1039/C7Nr02813J |
0.451 |
|
| 2017 |
Diamanti E, Andreozzi P, Kirby C, Anguiano R, Yate L, Heinz H, Ziolo RF, Donath E, Moya SE. A Study of the Impact of Polyanions on the Formation of Lipid Bilayers on Top of Polyelectrolyte Multilayers with Poly(allylamine hydrochloride) as Top Layer. The Journal of Physical Chemistry. B. PMID 28084736 DOI: 10.1021/Acs.Jpcb.6B12237 |
0.346 |
|
| 2017 |
Dharmawardhana CC, Kanhaiya K, Lin T, Garley A, Knecht MR, Zhou J, Miao J, Heinz H. Reliable computational design of biological-inorganic materials to the large nanometer scale using Interface-FF Molecular Simulation. 43: 1394-1405. DOI: 10.1080/08927022.2017.1332414 |
0.66 |
|
| 2017 |
Heinz H, Pramanik C, Heinz O, Ding Y, Mishra RK, Marchon D, Flatt RJ, Estrela-Lopis I, Llop J, Moya S, Zioloa RF. Nanoparticle decoration with surfactants: Molecular interactions, assembly, and applications Surface Science Reports. 72: 1-58. DOI: 10.1016/J.Surfrep.2017.02.001 |
0.626 |
|
| 2017 |
Pustovgar E, Mishra RK, Palacios M, d'Espinose de Lacaillerie J-B, Matschei T, Andreev AS, Heinz H, Verel R, Flatt RJ. Influence of aluminates on the hydration kinetics of tricalcium silicate Cement and Concrete Research. 100: 245-262. DOI: 10.1016/J.Cemconres.2017.06.006 |
0.57 |
|
| 2016 |
Heinz H, Ramezani-Dakhel H. Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities. Chemical Society Reviews. 45: 412-48. PMID 26750724 DOI: 10.1039/C5Cs00890E |
0.442 |
|
| 2016 |
Lin TJ, Heinz H. Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces Journal of Physical Chemistry C. 120: 4975-4992. DOI: 10.1021/Acs.Jpcc.5B12504 |
0.672 |
|
| 2016 |
Heinz H. Adsorption of biomolecules and polymers on silicates, glasses, and oxides: Mechanisms, predictions, and opportunities by molecular simulation Current Opinion in Chemical Engineering. 11: 34-41. DOI: 10.1016/J.Coche.2015.12.003 |
0.439 |
|
| 2015 |
Briggs BD, Bedford NM, Seifert S, Koerner H, Ramezani-Dakhel H, Heinz H, Naik RR, Frenkel AI, Knecht MR. Atomic-scale identification of Pd leaching in nanoparticle catalyzed C-C coupling: effects of particle surface disorder. Chemical Science. 6: 6413-6419. PMID 30090261 DOI: 10.1039/C5Sc01424G |
0.332 |
|
| 2015 |
Xu R, Chen CC, Wu L, Scott MC, Theis W, Ophus C, Bartels M, Yang Y, Ramezani-Dakhel H, Sawaya MR, Heinz H, Marks LD, Ercius P, Miao J. Three-dimensional coordinates of individual atoms in materials revealed by electron tomography. Nature Materials. PMID 26390325 DOI: 10.1038/Nmat4426 |
0.314 |
|
| 2015 |
Bedford NM, Ramezani-Dakhel H, Slocik JM, Briggs BD, Ren Y, Frenkel AI, Petkov V, Heinz H, Naik RR, Knecht MR. Elucidation of peptide-directed palladium surface structure for biologically tunable nanocatalysts. Acs Nano. 9: 5082-92. PMID 25905675 DOI: 10.1021/Acsnano.5B00168 |
0.373 |
|
| 2015 |
Mishra RK, Geissbuhler D, Carmona HA, Wittel FK, Sawley ML, Weibel M, Gallucci E, Herrmann HJ, Heinz H, Flatt RJ. En route to multi model scheme for clinker comminution with chemical grinding AIDS Advances in Applied Ceramics. 114: 393-401. DOI: 10.1179/1743676115Y.0000000023 |
0.59 |
|
| 2015 |
Emami FS, Puddu V, Berry RJ, Varshney V, Patwardhan SV, Perry CC, Heinz H. Correction to Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution Chemistry of Materials. 28: 406-407. DOI: 10.1021/Acs.Chemmater.5B04760 |
0.634 |
|
| 2015 |
Ramezani-Dakhel H, Ruan L, Huang Y, Heinz H. Molecular mechanism of specific recognition of cubic Pt nanocrystals by peptides and of the concentration-dependent formation from seed crystals Advanced Functional Materials. 25: 1374-1384. DOI: 10.1002/Adfm.201404136 |
0.395 |
|
| 2014 |
Ruan L, Ramezani-Dakhel H, Lee C, Li Y, Duan X, Heinz H, Huang Y. A rational biomimetic approach to structure defect generation in colloidal nanocrystals. Acs Nano. 8: 6934-44. PMID 24937767 DOI: 10.1021/Nn501704K |
0.358 |
|
| 2014 |
Heinz H. The role of chemistry and pH of solid surfaces for specific adsorption of biomolecules in solution--accurate computational models and experiment. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 244105. PMID 24863288 DOI: 10.1088/0953-8984/26/24/244105 |
0.49 |
|
| 2014 |
Mishra RK, Fernández-Carrasco L, Flatt RJ, Heinz H. A force field for tricalcium aluminate to characterize surface properties, initial hydration, and organically modified interfaces in atomic resolution. Dalton Transactions (Cambridge, England : 2003). 43: 10602-16. PMID 24828263 DOI: 10.1039/C4Dt00438H |
0.661 |
|
| 2014 |
Liu H, Espe M, Modarelli DA, Arias E, Moggio I, Ziolo RF, Heinz H. Interaction of substituted poly(phenyleneethynylene)s with ligand-stabilized CdS nanoparticles Journal of Materials Chemistry A. 2: 8705-8711. DOI: 10.1039/C4Ta01280A |
0.361 |
|
| 2014 |
Emami FS, Puddu V, Berry RJ, Varshney V, Patwardhan SV, Perry CC, Heinz H. Prediction of specific biomolecule adsorption on silica surfaces as a function of pH and particle size Chemistry of Materials. 26: 5725-5734. DOI: 10.1021/Cm5026987 |
0.672 |
|
| 2014 |
Emami FS, Puddu V, Berry RJ, Varshney V, Patwardhan SV, Perry CC, Heinz H. Force field and a surface model database for silica to simulate interfacial properties in atomic resolution Chemistry of Materials. 26: 2647-2658. DOI: 10.1021/Cm500365C |
0.65 |
|
| 2014 |
Heinz H. Understanding molecular recognition on metallic and oxidic nanostructures from a perspective of computer simulation and theory Bio-Inspired Nanotechnology: From Surface Analysis to Applications. 2147483647: 141-171. DOI: 10.1007/978-1-4614-9446-1_6 |
0.351 |
|
| 2013 |
Coppage R, Slocik JM, Ramezani-Dakhel H, Bedford NM, Heinz H, Naik RR, Knecht MR. Exploiting localized surface binding effects to enhance the catalytic reactivity of peptide-capped nanoparticles. Journal of the American Chemical Society. 135: 11048-54. PMID 23865951 DOI: 10.1021/Ja402215T |
0.362 |
|
| 2013 |
Ramezani-Dakhel H, Mirau PA, Naik RR, Knecht MR, Heinz H. Stability, surface features, and atom leaching of palladium nanoparticles: toward prediction of catalytic functionality. Physical Chemistry Chemical Physics : Pccp. 15: 5488-92. PMID 23474536 DOI: 10.1039/C3Cp00135K |
0.406 |
|
| 2013 |
Ruan L, Ramezani-Dakhel H, Chiu CY, Zhu E, Li Y, Heinz H, Huang Y. Tailoring molecular specificity toward a crystal facet: a lesson from biorecognition toward Pt{111}. Nano Letters. 13: 840-6. PMID 23320831 DOI: 10.1021/Nl400022G |
0.397 |
|
| 2013 |
Heinz H, Lin TJ, Mishra RK, Emami FS. Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 1754-65. PMID 23276161 DOI: 10.1021/La3038846 |
0.768 |
|
| 2013 |
Jha KC, Liu H, Bockstaller MR, Heinz H. Facet recognition and molecular ordering of ionic liquids on metal surfaces Journal of Physical Chemistry C. 117: 25969-25981. DOI: 10.1021/Jp4032404 |
0.759 |
|
| 2013 |
Mishra RK, Flatt RJ, Heinz H. Force field for tricalcium silicate and insight into nanoscale properties: Cleavage, initial hydration, and adsorption of organic molecules Journal of Physical Chemistry C. 117: 10417-10432. DOI: 10.1021/Jp312815G |
0.663 |
|
| 2012 |
Patwardhan SV, Emami FS, Berry RJ, Jones SE, Naik RR, Deschaume O, Heinz H, Perry CC. Chemistry of aqueous silica nanoparticle surfaces and the mechanism of selective peptide adsorption. Journal of the American Chemical Society. 134: 6244-56. PMID 22435500 DOI: 10.1021/Ja211307U |
0.646 |
|
| 2012 |
Feng J, Slocik JM, Sarikaya M, Naik RR, Farmer BL, Heinz H. Influence of the shape of nanostructured metal surfaces on adsorption of single peptide molecules in aqueous solution. Small (Weinheim An Der Bergstrasse, Germany). 8: 1049-59. PMID 22323430 DOI: 10.1002/Smll.201102066 |
0.453 |
|
| 2012 |
Heinz H. Clay minerals for nanocomposites and biotechnology: Surface modification, dynamics and responses to stimuli Clay Minerals. 47: 205-230. DOI: 10.1180/Claymin.2012.047.2.05 |
0.484 |
|
| 2012 |
Mishra RK, Heinz H, Zimmermann J, Mul̈ler T, Flatt RJ. Understanding the effectiveness of polycarboxylates as grinding aids American Concrete Institute, Aci Special Publication. 235-249. |
0.311 |
|
| 2011 |
Feng J, Cavicchi KA, Heinz H. Control over self-assembly of diblock copolymers on hexagonal and square templates for high area density circuit boards Acs Nano. 5: 9413-9420. PMID 22040321 DOI: 10.1021/Nn2035439 |
0.323 |
|
| 2011 |
Coppage R, Slocik JM, Briggs BD, Frenkel AI, Heinz H, Naik RR, Knecht MR. Crystallographic recognition controls peptide binding for bio-based nanomaterials. Journal of the American Chemical Society. 133: 12346-9. PMID 21774561 DOI: 10.1021/Ja203726N |
0.363 |
|
| 2011 |
Heinz H, Jha KC, Luettmer-Strathmann J, Farmer BL, Naik RR. Polarization at metal-biomolecular interfaces in solution. Journal of the Royal Society, Interface / the Royal Society. 8: 220-32. PMID 20630881 DOI: 10.1098/Rsif.2010.0318 |
0.759 |
|
| 2011 |
Feng J, Pandey RB, Berry RJ, Farmer BL, Naik RR, Heinz H. Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: Design rules for metal-binding molecules Soft Matter. 7: 2113-2120. DOI: 10.1039/C0Sm01118E |
0.442 |
|
| 2011 |
Fu YT, Zartman GD, Yoonessi M, Drummy LF, Heinz H. Bending of layered silicates on the nanometer scale: Mechanism, stored energy, and curvature limits Journal of Physical Chemistry C. 115: 22292-22300. DOI: 10.1021/Jp208383F |
0.317 |
|
| 2011 |
Heinz H. Understanding clay surface modification and organic-inorganic interfaces Advances in Polymer Nanocomposite Technology. 271-291. |
0.312 |
|
| 2010 |
Pandey RB, Heinz H, Feng J, Farmer BL. Biofunctionalization and immobilization of a membrane via peptide binding (CR3-1, S2) by a Monte Carlo simulation. The Journal of Chemical Physics. 133: 095102. PMID 20831337 DOI: 10.1063/1.3484241 |
0.311 |
|
| 2010 |
Heinz H. Computational screening of biomolecular adsorption and self-assembly on nanoscale surfaces. Journal of Computational Chemistry. 31: 1564-8. PMID 19862812 DOI: 10.1002/Jcc.21421 |
0.441 |
|
| 2010 |
Fu YT, Heinz H. Structure and cleavage energy of surfactant-modified clay minerals: Influence of CEC, head group and chain length Philosophical Magazine. 90: 2415-2424. DOI: 10.1080/14786430903559490 |
0.366 |
|
| 2010 |
Zartman GD, Liu H, Akdim B, Pachter R, Heinz H. Nanoscale tensile, shear, and failure properties of layered silicates as a function of cation density and stress Journal of Physical Chemistry C. 114: 1763-1772. DOI: 10.1021/Jp907012W |
0.301 |
|
| 2010 |
Fu YT, Heinz H. Cleavage energy of alkylammonium-modified montmorillonite and relation to exfoliation in nanocomposites: Influence of cation density, head group structure, and chain length Chemistry of Materials. 22: 1595-1605. DOI: 10.1021/Cm902784R |
0.393 |
|
| 2010 |
Pandey RB, Heinz H, Farmer BL, Drummy LF, Jones SE, Vaia RA, Naik RR. Layer of clay platelets in a peptide matrix: Binding, encapsulation, and morphology Journal of Polymer Science, Part B: Polymer Physics. 48: 2566-2574. DOI: 10.1002/Polb.22140 |
0.311 |
|
| 2009 |
Hong G, Heinz H, Naik RR, Farmer BL, Pachter R. Toward understanding amino acid adsorption at metallic interfaces: a density functional theory study. Acs Applied Materials & Interfaces. 1: 388-92. PMID 20353228 DOI: 10.1021/Am800099Z |
0.365 |
|
| 2009 |
Heinz H, Farmer BL, Pandey RB, Slocik JM, Patnaik SS, Pachter R, Naik RR. Nature of molecular interactions of peptides with gold, palladium, and Pd-Au bimetal surfaces in aqueous solution. Journal of the American Chemical Society. 131: 9704-14. PMID 19552440 DOI: 10.1021/Ja900531F |
0.484 |
|
| 2009 |
Pandey RB, Heinz H, Feng J, Farmer BL, Slocik JM, Drummy LF, Naik RR. Adsorption of peptides (A3, Flg, Pd2, Pd4) on gold and palladium surfaces by a coarse-grained Monte Carlo simulation. Physical Chemistry Chemical Physics : Pccp. 11: 1989-2001. PMID 19280010 DOI: 10.1039/B816187A |
0.377 |
|
| 2009 |
Cygan RT, Greathouse JA, Heinz H, Kalinichev AG. Molecular models and simulations of layered materials Journal of Materials Chemistry. 19: 2470-2481. DOI: 10.1039/B819076C |
0.385 |
|
| 2008 |
Heinz H, Vaia RA, Farmer BL. Relation between packing density and thermal transitions of alkyl chains on layered silicate and metal surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 3727-33. PMID 18335964 DOI: 10.1021/La703019E |
0.409 |
|
| 2008 |
Heinz H, Vaia RA, Farmer BL, Naik RR. Accurate simulation of surfaces and interfaces of face-centered cubic metals using 12-6 and 9-6 lennard-jones potentials Journal of Physical Chemistry C. 112: 17281-17290. DOI: 10.1021/Jp801931D |
0.479 |
|
| 2008 |
Heinz H, Vaia RA, Koerner H, Farmer BL. Photoisomerization of azobenzene grafted to layered silicates: Simulation and experimental challenges Chemistry of Materials. 20: 6444-6456. DOI: 10.1021/Cm801287D |
0.388 |
|
| 2007 |
Heinz H, Vaia RA, Krishnamoorti R, Farmer BL. Self-assembly of alkylammonium chains on montmorillonite: Effect of chain length, head group structure, and cation exchange capacity Chemistry of Materials. 19: 59-68. DOI: 10.1021/Cm062019S |
0.37 |
|
| 2007 |
Heinz H, Jha KC, Farmer BL, Naik RR. Peptide binding to sheet silicates and metal Nanoparticles - Insight from atomistic simulation International Sampe Technical Conference. |
0.746 |
|
| 2006 |
Jacobs JD, Koerner H, Heinz H, Farmer BL, Mirau P, Garrett PH, Vaia RA. Dynamics of alkyl ammonium intercalants within organically modified montmorillonite: Dielectric relaxation and ionic conductivity. The Journal of Physical Chemistry. B. 110: 20143-57. PMID 17034189 DOI: 10.1021/Jp061931L |
0.331 |
|
| 2006 |
Heinz H, Vaia RA, Farmer BL. Interaction energy and surface reconstruction between sheets of layered silicates. The Journal of Chemical Physics. 124: 224713. PMID 16784307 DOI: 10.1063/1.2202330 |
0.416 |
|
| 2005 |
Heinz H, Koerner H, Anderson KL, Vaia RA, Farmer BL. Force field for mica-type silicates and dynamics of octadecylammonium chains grafted to montmorillonite Chemistry of Materials. 17: 5658-5669. DOI: 10.1021/Cm0509328 |
0.419 |
|
| 2004 |
Heinz H, Paul W, Suter UW, Binder K. Analysis of the phase transitions in alkyl-mica by density and pressure profiles. The Journal of Chemical Physics. 120: 3847-54. PMID 15268550 DOI: 10.1063/1.1642605 |
0.522 |
|
| 2004 |
Heinz H, Suter UW. Surface structure of organoclays. Angewandte Chemie (International Ed. in English). 43: 2239-43. PMID 15108132 DOI: 10.1002/Anie.200352747 |
0.547 |
|
| 2004 |
Heinz H, Suter UW. Atomic charges for classical simulations of polar systems Journal of Physical Chemistry B. 108: 18341-18352. DOI: 10.1021/Jp048142T |
0.559 |
|
| 2003 |
Heinz H, Castelijns HJ, Suter UW. Structure and phase transitions of alkyl chains on mica. Journal of the American Chemical Society. 125: 9500-10. PMID 12889981 DOI: 10.1021/Ja021248M |
0.561 |
|
| 2001 |
Heinz H, Suter UW, Leontidis E. Simple and accurate computations of solvatochromic shifts in pi --> pi* transitions of aromatic chromophores. Journal of the American Chemical Society. 123: 11229-36. PMID 11697965 DOI: 10.1021/Ja010396U |
0.513 |
|
| 2001 |
Leontidis E, Heinz H, Palewska K, Wallenborn EU, Suter UW. Normal and defective perylene substitution sites in alkane crystals Journal of Chemical Physics. 114: 3224-3235. DOI: 10.1063/1.1342238 |
0.487 |
|
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