Solvation of Hydrogen Sulfide in Liquid Water and at the Water–Vapor Interface Using a Polarizable Force Field

2014 ◽  
Vol 118 (5) ◽  
pp. 1373-1380 ◽  
Author(s):  
Saleh Riahi ◽  
Christopher N. Rowley
Keyword(s):  
Hydrogen Sulfide ◽  
Water Vapor ◽  
Force Field ◽  
Liquid Water ◽  
Polarizable Force Field ◽  
Vapor Interface

scholarly journals Electromechanics of the liquid water vapour interface

2020 ◽  
Vol 22 (19) ◽  
pp. 10676-10686 ◽  
Author(s):  
Chao Zhang ◽  
Michiel Sprik
Keyword(s):  
Water Vapor ◽  
Stress Tensor ◽  
Water Vapour ◽  
Surface Potential ◽  
Liquid Water ◽  
Maxwell Stress ◽  
Capillary Effect ◽  
Vapor Interface ◽  
Maxwell Stress Tensor ◽  
Anisotropic Stress

The response of the anisotropic stress at the liquid water vapor interface to a finite electric suggests that the surface potential of water can be seen as an electro-capillary effect coupled to the Maxwell stress tensor.

scholarly journals Ab initio molecular dynamics simulation of liquid water and water–vapor interface

2001 ◽  
Vol 115 (21) ◽  
pp. 9815-9820 ◽  
Author(s):  
Peter Vassilev ◽  
Christoph Hartnig ◽  
Marc T. M. Koper ◽  
Frédéric Frechard ◽  
Rutger A. van Santen
Keyword(s):  
Molecular Dynamics ◽  
Water Vapor ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Liquid Water ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Vapor Interface

Propensity of heavier halides for the water/vapor interface revisited using the Amoeba force field

2005 ◽  
Vol 411 (1-3) ◽  
pp. 70-74 ◽  
Author(s):  
Lukáš Tůma ◽  
Dominik Jeníček ◽  
Pavel Jungwirth
Keyword(s):  
Water Vapor ◽  
Force Field ◽  
Vapor Interface ◽  
Amoeba Force Field

Charge transfer effects of ions at the liquid water/vapor interface

2014 ◽  
Vol 140 (18) ◽  
pp. 184703 ◽  
Author(s):  
Marielle Soniat ◽  
Steven W. Rick
Keyword(s):  
Charge Transfer ◽  
Water Vapor ◽  
Liquid Water ◽  
Transfer Effects ◽  
Vapor Interface

Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field

2011 ◽  
Vol 135 (24) ◽  
pp. 244503 ◽  
Author(s):  
Jian Liu ◽  
William H. Miller ◽  
George S. Fanourgakis ◽  
Sotiris S. Xantheas ◽  
Sho Imoto ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio ◽  
Liquid Water ◽  
Polarizable Force Field ◽  
Quantum Dynamical

Quantum effects in liquid water from an ab initio-based polarizable force field

2007 ◽  
Vol 127 (7) ◽  
pp. 074506 ◽  
Author(s):  
Francesco Paesani ◽  
Satoru Iuchi ◽  
Gregory A. Voth
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Liquid Water ◽  
Quantum Effects ◽  
Polarizable Force Field
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