화학공학소재연구정보센터
검색결과 : 22건
No. Article
1 Ion Pairing in Aqueous Electrolyte Solutions with Biologically Relevant Anions
Ganguly P, Schravendijk P, Hess B, van der Vegt NFA
Journal of Physical Chemistry B, 115(13), 3734, 2011
2 Driving Forces for Adsorption of Amphiphilic Peptides to the Air-Water Interface
Engin O, Villa A, Sayar M, Hess B
Journal of Physical Chemistry B, 114(34), 11093, 2010
3 Interaction of Water with N,N'-1,2-Ethanediyl-bis(6-hydroxy-hexanamide) Crystals: A Simulation Study
Hess B, Harings JAW, Rastogi S, van der Vegt NFA
Journal of Physical Chemistry B, 113(3), 627, 2009
4 Dynamics and Structure of Ln(III)-Aqua Ions: A Comparative Molecular Dynamics Study Using ab Initio Based Flexible and Polarizable Model Potentials
Villa A, Hess B, Saint-Martin H
Journal of Physical Chemistry B, 113(20), 7270, 2009
5 Competing adsorption between hydrated peptides and water onto metal surfaces: From electronic to conformational properties
Ghiringhelli LM, Hess B, van der Vegt NFA, Delle Site L
Journal of the American Chemical Society, 130(40), 13460, 2008
6 Fast-growth thermodynamic integration: Calculating excess chemical Potentials of additive molecules in polymer microstructures
Hess B, Peter C, Ozal T, van der Vegt NFA
Macromolecules, 41(6), 2283, 2008
7 Modeling solubilities of additives in polymer micro structures: Single-step perturbation method based on a soft-cavity reference state
Ozal TA, Peter C, Hess B, van der Vegt NFA
Macromolecules, 41(13), 5055, 2008
8 Predictive Modeling of Phenol Chemical Potentials in Molten Bisphenol A-Polycarbonate over a Broad Temperature Range
Hess B, van der Vegt NFA
Macromolecules, 41(20), 7281, 2008
9 Stability of hydrophobically modified poly(p-phenylenesulfonate) bundles as observed by molecular dynamics simulation
Hess B, Sayar M, Holm C
Macromolecules, 40(5), 1703, 2007
10 Hydration thermodynamic properties of amino acid analogues: A systematic comparison of biomolecular force fields and water models
Hess B, van der Vegt NFA
Journal of Physical Chemistry B, 110(35), 17616, 2006