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The Journal of Physical Chemistry B, ISSN 1520-6106, 08/2017, Volume 121, Issue 33, pp. 7987 - 7998
We perform grand canonical Monte Carlo simulations to study the pH titrations of isolated polyampholytes and polyelectrolyte-polyampholyte complexes in dilute... 
CHARGE-DENSITY | SALT | ANNEALED POLYELECTROLYTES | CONFORMATIONAL TRANSITION | NANOPARTICLE | CHEMISTRY, PHYSICAL | POOR SOLVENT | SEPARATION | MOLECULAR-DYNAMICS SIMULATIONS | ADSORPTION | WEAK POLYELECTROLYTE | Molecular simulation | Electrolytes | Chemical reactions | Usage | Research | Chemistry, Physical and theoretical
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 09/2016, Volume 166, pp. 1 - 7
Four new complexes, [Co(dmbpy)2(dca)2]·CH3OH (1), [Ni(dmbpy)2(dca)2]·CH3OH (2), [Zn(dmbpy)2(dca)2]·(3) and [Cu(dmbpy)2(OH)2]·5H2O (4) (dca=dicyanamide),... 
DFT calculations | UV spectra | Crystal structure | Hirshfeld surface | END DICYANAMIDE BRIDGES | WEAK FORCES | ANION-PI | SPECTROSCOPY | LONE PAIR-PI | MOLECULAR MAGNETS | LOW-DIMENSIONAL COMPOUNDS | MAGNETIC-PROPERTIES | COORDINATION POLYMERS | CYANO GROUPS | INTERMOLECULAR INTERACTIONS | Structure | Analysis | Crystals | Diffraction | X-rays
Journal Article
Journal Article
Macromolecules, ISSN 0024-9297, 02/2010, Volume 43, Issue 3, pp. 1575 - 1582
We employ extensive coarse-grained molecular dynamics simulations to explore the influence of rigidity of linear polyelectrolyte (PE) on the dendrimer−PE... 
POLYMER SCIENCE | DNA | POLYION-MACROION COMPLEXES | PAMAM DENDRIMERS | EWALD SUMS | POLYAMIDOAMINE DENDRIMERS | PORE FORMATION | MONTE-CARLO SIMULATIONS | MOLECULAR-DYNAMICS SIMULATIONS | WEAK POLYELECTROLYTE | LIPID-BILAYER
Journal Article
Supramolecular Chemistry: Special issue honouring Professor Rocco Ungaro, ISSN 1061-0278, 09/2013, Volume 25, Issue 9-11, pp. 609 - 614
Molecular recognition via weak interactions of three enantiopure tetraalkylammonium cations 2-4 by ethyl resorcinarene 1 was studied in the solid state using... 
weak interactions | resorcinarenes | chirality | complexation | X-ray structure | PYROGALLARENE | CAVITANDS | RECOGNITION | ENCAPSULATION | CHEMISTRY, MULTIDISCIPLINARY | CARCEPLEXES | HEMICARCEPLEXES | ALKYL AMMONIUM CATIONS | C-METHYL | MOLECULAR CAPSULES | GAS-PHASE
Journal Article
Geochimica et Cosmochimica Acta, ISSN 0016-7037, 10/1999, Volume 63, Issue 19-20, pp. 2903 - 2917
A conceptual model for the adsorption of linear, flexible weak polyelectrolytes on oxide surfaces is applied to the adsorption and conformation of natural... 
ELECTROSTATIC INTERACTIONS | GEOCHEMISTRY & GEOPHYSICS | FULVIC-ACID | OXIDE SURFACES | MINERAL PARTICLES | STABILITY | AQUATIC HUMIC SUBSTANCES | WEAK POLYELECTROLYTES | SUWANNEE RIVER | ADSORPTION | WATER INTERFACE | HUMIC ACIDS | ENVIRONMENTAL SCIENCES | HEMATITE | MATHEMATICAL MODELS | COMPLEXES | RIVERS | SURFACES
Journal Article