Add to ORKGA simulation of a dilute solution of O-2 in water under standard conditions was performed with the Monte Carlo technique. In line with previous simulations of apolar solutes in water, our results predict a clathrate like structure of the water molecules around the solute. In the first solvation shell, formed by 17 water units, the molecules are tangentially arranged around the solute, causing a local distortion of the three-dimensional hydrogen bond network typical of water. This distortion is compensated by stronger interactions among the water molecules within the hydration shell
Monte Carlo simulations of a small model solute in an aqueous solution are used to examine the effec...
By means of Monte Carlo computer simulations in the isothermal-isobaric ensemble, we investigated th...
We develop an analytical statistical-mechanical model for hydrophobic solvation in water. In this th...
A simulation of a dilute solution of O-2 in water under standard conditions was performed with the M...
A simulation of a dilute solution of O-2 in water under standard conditions was performed with the M...
A simulation of a dilute solution of O-2 in water under standard conditions was performed with the M...
Details of structural changes that take place in water near an apolar solute have been studied by Mo...
Details of structural changes that take place in water near an apolar solute have been studied by Mo...
Monte Carlo simulations of a small model solute in an aqueous solution are used to examine the effec...
The hydrophobic interaction between two methane molecules in salt-free and high salt-containing aque...
The roles of hydrogen bonding and the hard core of water on hydrophobic hydration are clarified usin...
The hydrophobic interaction between two methane molecules in salt-free and high salt-containing solu...
A potential of mean force (PMF) expansion is used to predict the water structure near nonpolar solut...
The behaviour of solutes in water is of universal significance, but still not fully understood. This...
The ambiguity in the behavior of water molecules around hydrophobic solutes is a matter of interest ...
Monte Carlo simulations of a small model solute in an aqueous solution are used to examine the effec...
By means of Monte Carlo computer simulations in the isothermal-isobaric ensemble, we investigated th...
We develop an analytical statistical-mechanical model for hydrophobic solvation in water. In this th...
A simulation of a dilute solution of O-2 in water under standard conditions was performed with the M...
A simulation of a dilute solution of O-2 in water under standard conditions was performed with the M...
A simulation of a dilute solution of O-2 in water under standard conditions was performed with the M...
Details of structural changes that take place in water near an apolar solute have been studied by Mo...
Details of structural changes that take place in water near an apolar solute have been studied by Mo...
Monte Carlo simulations of a small model solute in an aqueous solution are used to examine the effec...
The hydrophobic interaction between two methane molecules in salt-free and high salt-containing aque...
The roles of hydrogen bonding and the hard core of water on hydrophobic hydration are clarified usin...
The hydrophobic interaction between two methane molecules in salt-free and high salt-containing solu...
A potential of mean force (PMF) expansion is used to predict the water structure near nonpolar solut...
The behaviour of solutes in water is of universal significance, but still not fully understood. This...
The ambiguity in the behavior of water molecules around hydrophobic solutes is a matter of interest ...
Monte Carlo simulations of a small model solute in an aqueous solution are used to examine the effec...
By means of Monte Carlo computer simulations in the isothermal-isobaric ensemble, we investigated th...
We develop an analytical statistical-mechanical model for hydrophobic solvation in water. In this th...