The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

Pierfranco Demontis; Jorge Gulín-González; Marco Masia; Marco Sant; Giuseppe B. Suffritti

doi:10.1063/1.4922930

The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.4922930 ◽

2015 ◽

Vol 142 (24) ◽

pp. 244507 ◽

Cited By ~ 4

Author(s):

Pierfranco Demontis ◽

Jorge Gulín-González ◽

Marco Masia ◽

Marco Sant ◽

Giuseppe B. Suffritti

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation ◽

Bulk Liquid

Download Full-text

High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

Frontiers of Physics ◽

10.1007/s11467-017-0693-7 ◽

2017 ◽

Vol 13 (1) ◽

Cited By ~ 5

Author(s):

Andrea Gabrieli ◽

Marco Sant ◽

Saeed Izadi ◽

Parviz Seifpanahi Shabane ◽

Alexey V. Onufriev ◽

...

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Molecular Dynamics Simulation ◽

Dynamic Behavior ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation ◽

Bulk Liquid ◽

Temperature Dynamic

Download Full-text

Relaxation dynamics and power spectra of liquid water: a molecular dynamics simulation study

Molecular Physics ◽

10.1080/00268976.2020.1733117 ◽

2020 ◽

Vol 118 (16) ◽

pp. e1733117

Author(s):

Mahabir Prasad ◽

Niall J. English ◽

Somendra Nath Chakraborty

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Water ◽

Power Spectra ◽

Dynamics Simulation ◽

Relaxation Dynamics

Download Full-text

Rotational Motion in Liquid Water Is Anisotropic: A Nuclear Magnetic Resonance and Molecular Dynamics Simulation Study

Journal of the American Chemical Society ◽

10.1021/ja010312h ◽

2001 ◽

Vol 123 (33) ◽

pp. 8047-8052 ◽

Cited By ~ 81

Author(s):

J. Ropp ◽

C. Lawrence ◽

T. C. Farrar ◽

J. L. Skinner

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Simulation Study ◽

Liquid Water ◽

Rotational Motion ◽

Dynamics Simulation ◽

Nuclear Magnetic

Download Full-text

Spectroscopic and dielectric properties of liquid water: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.477102 ◽

1998 ◽

Vol 109 (12) ◽

pp. 4911-4919 ◽

Cited By ~ 45

Author(s):

Badry D. Bursulaya ◽

Hyung J. Kim

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation

Download Full-text

Molecular dynamics simulation study of a hydronium ion in liquid water with implementation of the proton transfer by means of a hopping mechanism

Solid State Ionics ◽

10.1016/0167-2738(94)00227-j ◽

1995 ◽

Vol 77 ◽

pp. 3-9 ◽

Cited By ~ 12

Author(s):

R Schmidt

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Proton Transfer ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation ◽

Hopping Mechanism ◽

Hydronium Ion

Download Full-text

Hydrogen bonding in liquid water at 1 GPa : Molecular Dynamics Simulation Study of TIP4P/2005 Water Model

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113527 ◽

2021 ◽

pp. 113527

Author(s):

Mahabir Prasad ◽

Somendra Nath Chakraborty

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation ◽

Water Model

Download Full-text

A comparison of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces—a molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.466425 ◽

1994 ◽

Vol 100 (4) ◽

pp. 3334-3345 ◽

Cited By ~ 399

Author(s):

Song Hi Lee ◽

Peter J. Rossky

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Hydrophilic Surfaces

Download Full-text

Hydrogen Bonding and Related Properties in Liquid Water: A Car–Parrinello Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp507196q ◽

2014 ◽

Vol 119 (29) ◽

pp. 8926-8938 ◽

Cited By ~ 46

Author(s):

Elvira Guardia ◽

Ioannis Skarmoutsos ◽

Marco Masia

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation

Download Full-text

Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

Download Full-text

Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

Download Full-text