Methanol coupling in the zeolite chabazite studied via Car-Parrinello molecular dynamics

Author： Lo Cynthia Giurumescu Claudiu A. Radhakrishnan Ravi Trout Bernhardt L.

ISSN： 1362-3028

Source： Molecular Physics, Vol.102, Iss.3, 2004-02, pp. : 281-288

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

Molecular dynamics without effective potentials via the Car-Parrinello approach

By Remler Dahlia Madden Paul

Molecular Physics, Vol. 70, Iss. 6, 1990-08 ,pp. : 921-966

Taylor & Francis Ltd

Access to resources Recommend Favorite

New fitting scheme to obtain effective potential from Car-Parrinello molecular-dynamics simulations: Application to silica

EPL (EUROPHYSICS LETTERS), Vol. 82, Iss. 1, 2008-04 ,pp. : 17001-17001

Edp Sciences

Access to resources Recommend Favorite

Car–Parrinello study of Ziegler–Natta heterogeneous catalysis: stability and destabilization problems of the active site models

By Boero Mauro Parrinello Michele Terakura Kiyoyuki Weiss Horst

Molecular Physics, Vol. 100, Iss. 18, 2002-09 ,pp. : 2935-2940

Taylor & Francis Ltd

Access to resources Recommend Favorite

Molecular dynamics of methanol

By Vij J.K. Reid C.J. Evans M.W.

Molecular Physics, Vol. 50, Iss. 5, 1983-12 ,pp. : 935-947

Taylor & Francis Ltd

Access to resources Recommend Favorite

Shear viscosity of polar liquid mixtures via non-equilibrium molecular dynamics: water, methanol, and acetone

By Wheeler Dean R. Rowley Richard L.

Molecular Physics, Vol. 94, Iss. 3, 1998-06 ,pp. : 555-564

Taylor & Francis Ltd

Access to resources Recommend Favorite