Approaching post-Hartree-Fock quality potential energy surfaces with simple pair-wise expressions: parameterising point-charge-based force fields for liquid water using the adaptive force matching method

Author： Wang Feng   Akin-Ojo Omololu   Pinnick Eric   Song Yang  

Publisher： Taylor & Francis Ltd

ISSN： 0892-7022

Source： Molecular Simulation, Vol.37, Iss.7, 2011-06, pp. : 591-605

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

A comparison of force fields for ethanol–water mixtures

By Mijaković Marijana   Polok Kamil Dawid   Kežić Bernarda   Sokolić Franjo   Perera Aurélien   Zoranić Larisa  

Molecular Simulation, Vol. 41, Iss. 9, 2015-06 ,pp. : 699-712

Taylor & Francis Ltd

Access to resources Recommend Favorite

Determination method of the balance of the secondary-structure-forming tendencies of force fields

By Sakae Yoshitake   Okamoto Yuko  

Molecular Simulation, Vol. 36, Iss. 2, 2010-02 ,pp. : 159-165

Taylor & Francis Ltd

Access to resources Recommend Favorite

Driving force of water entry into hydrophobic channels of carbon nanotubes: entropy or energy?

By Kumar Hemant   Dasgupta Chandan   Maiti Prabal K.  

Molecular Simulation, Vol. 41, Iss. 5-6, 2015-04 ,pp. : 504-511

Taylor & Francis Ltd

Access to resources Recommend Favorite

Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems

By Patel Sandeep   Brooks Charles L.  

Molecular Simulation, Vol. 32, Iss. 3-4, 2006-01 ,pp. : 231-249

Taylor & Francis Ltd

Access to resources Recommend Favorite

Novel Knowledge-based Mean Force Potential at Atomic Level

By Melo F.   Feytmans E.  

Journal of Molecular Biology, Vol. 267, Iss. 1, 1997-03 ,pp. : 207-222

Academic Press

Access to resources Recommend Favorite