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Journal Articles

Variational vs perturbative relativistic energies for small and light atomic and molecular systems

Dávid Ferenc, Péter Jeszenszki, Edit Mátyus
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 094113 (2022)
https://doi.org/10.1063/5.0105355
Published: September 2022
View article titled, Variational vs perturbative relativistic energies for small and light atomic and molecular systems
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Includes: Supplementary data
Journal Articles

Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles

Adolfo J. Banchio, Marco Heinen, Peter Holmqvist, Gerhard Nägele
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 134902 (2018)
https://doi.org/10.1063/1.5017969
Published: April 2018
View article titled, Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles
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Journal Articles

Dynamics of small unilamellar vesicles

Ingo Hoffmann, Claudia Hoffmann, Bela Farago, Sylvain Prévost, Michael Gradzielski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 104901 (2018)
https://doi.org/10.1063/1.5009424
Published: March 2018
View article titled, Dynamics of small unilamellar vesicles
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Includes: Supplementary data
Journal Articles

Liquid-liquid phase separation in dilute solutions of poly(styrene sulfonate) with multivalent cations: Phase diagrams, chain morphology, and impact of temperature

Markus Hansch, Benjamin Hämisch, Ralf Schweins, Sylvain Prévost, Klaus Huber
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 014901 (2018)
https://doi.org/10.1063/1.5006618
Published: January 2018
View article titled, Liquid-liquid phase separation in dilute solutions of poly(styrene sulfonate) with multivalent cations: Phase diagrams, chain morphology, and impact of temperature
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Includes: Supplementary data
Journal Articles

Effect of chain stiffness for semiflexible macromolecules in array of cylindrical nanoposts

Zuzana Benková, Lucia Rišpanová, Peter Cifra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 134907 (2017)
https://doi.org/10.1063/1.4991649
Published: October 2017
View article titled, Effect of chain stiffness for semiflexible macromolecules in array of cylindrical nanoposts
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Journal Articles

Luminescent tunable polydots: Charge effects in confined geometry

Sidath Wijesinghe, Sabina Maskey, Dvora Perahia, Gary S. Grest
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 244907 (2017)
https://doi.org/10.1063/1.4990506
Published: June 2017
View article titled, Luminescent tunable polydots: Charge effects in confined geometry
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Includes: Supplementary data
Journal Articles

More room for microphase separation: An extended study on binary liquids confined in SBA-15 cylindrical pores

Editor’s Pick
Ramona Mhanna, Abdel Razzak Abdel Hamid, Sujeet Dutta, Ronan Lefort, Laurence Noirez, Bernhard Frick, Denis Morineau
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 024501 (2017)
https://doi.org/10.1063/1.4972126
Published: January 2017
View article titled, More room for microphase separation: An extended study on binary liquids confined in SBA-15 cylindrical pores
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Includes: Supplementary data
Journal Articles

Experimental and molecular dynamics simulation study of structure of liquid and amorphous Ni62Nb38 alloy

Y. Zhang, R. Ashcraft, M.I. Mendelev, C. Z. Wang, K. F. Kelton
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 204505 (2016)
https://doi.org/10.1063/1.4968212
Published: November 2016
View article titled, Experimental and molecular dynamics simulation study of structure of liquid and amorphous Ni<sub>62</sub>Nb<sub>38</sub> alloy
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Includes: Supplementary data
Journal Articles

Association of a multifunctional ionic block copolymer in a selective solvent

Thusitha N. Etampawala, Dipak Aryal, Naresh C. Osti, Lilin He, William T. Heller, Carl L. Willis, Gary S. Grest, Dvora Perahia
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 184903 (2016)
https://doi.org/10.1063/1.4967291
Published: November 2016
View article titled, Association of a multifunctional ionic block copolymer in a selective solvent
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Journal Articles

Elastic X-ray scattering from state-selected molecules

Thomas Northey, Andrés Moreno Carrascosa, Steffen Schäfer, Adam Kirrander
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 154304 (2016)
https://doi.org/10.1063/1.4962256
Published: October 2016
View article titled, Elastic X-ray scattering from state-selected molecules
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Journal Articles

Intermolecular associations in an equimolar formamide-water solution based on neutron scattering and DFT calculations

Hafedh Abdelmoulahi, Houcine Ghalla, Salah Nasr, Jacques Darpentigny, Marie-Claire Bellissent-Funel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 134502 (2016)
https://doi.org/10.1063/1.4963915
Published: October 2016
View article titled, Intermolecular associations in an equimolar formamide-water solution based on neutron scattering and DFT calculations
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Journal Articles

The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model

Olga Alcaraz, Joaquim Trullàs, Shuta Tahara, Yukinobu Kawakita, Shin’ichi Takeda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 094503 (2016)
https://doi.org/10.1063/1.4962181
Published: September 2016
View article titled, The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model
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Journal Articles

Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars

J. Fernandez-Castanon, F. Bomboi, L. Rovigatti, M. Zanatta, A. Paciaroni, L. Comez, L. Porcar, C. J. Jafta, G. C. Fadda, T. Bellini, F. Sciortino
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 084910 (2016)
https://doi.org/10.1063/1.4961398
Published: August 2016
View article titled, Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars
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Journal Articles

Not just fractal surfaces, but surface fractal aggregates: Derivation of the expression for the structure factor and its applications

R. Besselink, T. M. Stawski, A. E. S. Van Driessche, L. G. Benning
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 211908 (2016)
https://doi.org/10.1063/1.4960953
Published: August 2016
View article titled, Not just fractal surfaces, but surface fractal aggregates: Derivation of the expression for the structure factor and its applications
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Includes: Supplementary data
Journal Articles

Structure and phase behavior of polymer loaded non-ionic and anionic microemulsions

Andreas Weber, Bernd Stühn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 144903 (2016)
https://doi.org/10.1063/1.4945610
Published: April 2016
View article titled, Structure and phase behavior of polymer loaded non-ionic and anionic microemulsions
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Includes: Supplementary data
Journal Articles

Colloidal crystallite suspensions studied by high pressure small angle x-ray scattering

M. A. Schroer, F. Westermeier, F. Lehmkühler, H. Conrad, A. Schavkan, A. V. Zozulya, B. Fischer, W. Roseker, M. Sprung, C. Gutt, G. Grübel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 084903 (2016)
https://doi.org/10.1063/1.4941563
Published: February 2016
View article titled, Colloidal crystallite suspensions studied by high pressure small angle x-ray scattering
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Journal Articles

Coarse-grained simulations of poly(propylene imine) dendrimers in solution

A. F. Smeijers, A. J. Markvoort, K. Pieterse, P. A. J. Hilbers
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 074903 (2016)
https://doi.org/10.1063/1.4941379
Published: February 2016
View article titled, Coarse-grained simulations of poly(propylene imine) dendrimers in solution
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Includes: Supplementary data
Journal Articles

Suspensions of polymer-grafted nanoparticles with added polymers—Structure and effective pair-interactions

Sivasurender Chandran, Shibu Saw, A. K. Kandar, C. Dasgupta, M. Sprung, J. K. Basu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 084902 (2015)
https://doi.org/10.1063/1.4929438
Published: August 2015
View article titled, Suspensions of polymer-grafted nanoparticles with added polymers—Structure and effective pair-interactions
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Journal Articles

Direct observation of critical adsorption on colloidal particles

C. E. Bertrand, P. D. Godfrin, Y. Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 084704 (2015)
https://doi.org/10.1063/1.4929347
Published: August 2015
View article titled, Direct observation of critical adsorption on colloidal particles
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Journal Articles

On the mesoscopic origins of high viscosities in some polyelectrolyte-surfactant mixtures

Ingo Hoffmann, Bela Farago, Ralf Schweins, Peter Falus, Melissa Sharp, Sylvain Prévost, Michael Gradzielski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 074902 (2015)
https://doi.org/10.1063/1.4928583
Published: August 2015
View article titled, On the mesoscopic origins of high viscosities in some polyelectrolyte-surfactant mixtures
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Includes: Supplementary data