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Force fields for divalent cations based on single-ion and ion-pair properties
Force fields for divalent cations based on single-ion and ion-pair properties
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Force fields for divalent cations based on single-ion and ion-pair properties

Mamatkulov, Shavkat ; Fyta, Maria ; Netz, Roland R

The Journal of chemical physics, 2013-01, Vol.138 (2), p.024505-024505 [Periódico revisado por pares]

United States

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12
Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces
Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces
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Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces

Schrader, Alex M. ; Cheng, Chi-Yuan ; Israelachvili, Jacob N. ; Han, Songi

The Journal of chemical physics, 2016-07, Vol.145 (4), p.041101-041101 [Periódico revisado por pares]

United States: American Institute of Physics

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13
TES buffer-induced phase separation of aqueous solutions of several water-miscible organic solvents at 298.15 K: phase diagrams and molecular dynamic simulations
TES buffer-induced phase separation of aqueous solutions of several water-miscible organic solvents at 298.15 K: phase diagrams and molecular dynamic simulations
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TES buffer-induced phase separation of aqueous solutions of several water-miscible organic solvents at 298.15 K: phase diagrams and molecular dynamic simulations

Taha, Mohamed ; Lee, Ming-Jer

The Journal of chemical physics, 2013-06, Vol.138 (24), p.244501-244501 [Periódico revisado por pares]

United States

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14
Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation
Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation
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Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation

Paluch, Andrew S ; Parameswaran, Sreeja ; Liu, Shuai ; Kolavennu, Anasuya ; Mobley, David L

The Journal of chemical physics, 2015-01, Vol.142 (4), p.044508-044508 [Periódico revisado por pares]

United States: American Institute of Physics

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15
Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations
Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations
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Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations

Mester, Zoltan ; Panagiotopoulos, Athanassios Z

The Journal of chemical physics, 2015-07, Vol.143 (4), p.044505-044505 [Periódico revisado por pares]

United States: American Institute of Physics

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16
Structure-thermodynamics relation of electrolyte solutions
Structure-thermodynamics relation of electrolyte solutions
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Structure-thermodynamics relation of electrolyte solutions

Kalcher, Immanuel ; Dzubiella, Joachim

The Journal of chemical physics, 2009-04, Vol.130 (13), p.134507-134507-12 [Periódico revisado por pares]

United States: American Institute of Physics

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17
Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach
Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach
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Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

Duchemin, Ivan ; Jacquemin, Denis ; Blase, Xavier

The Journal of chemical physics, 2016-04, Vol.144 (16), p.164106-164106 [Periódico revisado por pares]

United States: American Institute of Physics

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18
Electron flow between the worlds of Marcus and Warburg
Electron flow between the worlds of Marcus and Warburg
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Electron flow between the worlds of Marcus and Warburg

Megarity, Clare F. ; Siritanaratkul, Bhavin ; Herold, Ryan A. ; Morello, Giorgio ; Armstrong, Fraser A.

The Journal of chemical physics, 2020-12, Vol.153 (22), p.225101-225101 [Periódico revisado por pares]

United States: American Institute of Physics

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19
Overhauser effects in insulating solids
Overhauser effects in insulating solids
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Overhauser effects in insulating solids

Can, T V ; Caporini, M A ; Mentink-Vigier, F ; Corzilius, B ; Walish, J J ; Rosay, M ; Maas, W E ; Baldus, M ; Vega, S ; Swager, T M ; Griffin, R G

The Journal of chemical physics, 2014-08, Vol.141 (6), p.064202-064202 [Periódico revisado por pares]

United States: American Institute of Physics

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20
Kinetics of protein adsorption on gold nanoparticle with variable protein structure and nanoparticle size
Kinetics of protein adsorption on gold nanoparticle with variable protein structure and nanoparticle size
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Kinetics of protein adsorption on gold nanoparticle with variable protein structure and nanoparticle size

Khan, S ; Gupta, A ; Verma, N C ; Nandi, C K

The Journal of chemical physics, 2015-10, Vol.143 (16), p.164709-164709 [Periódico revisado por pares]

United States: American Institute of Physics

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