The computation of molecular properties of flexible molecules

Author： Dunmur David A. Grayson Martin Pickup Barry T. Wilson Mark R.

ISSN： 1362-3028

Source： Molecular Physics, Vol.90, Iss.2, 1997-02, pp. : 179-187

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

Non-equilibrium molecular dynamics calculation of thermal conductivity of flexible molecules: butane

By Daivis Peter Evans Denis

Molecular Physics, Vol. 81, Iss. 6, 1994-04 ,pp. : 1289-1295

Taylor & Francis Ltd

Access to resources Recommend Favorite

Molecular dynamics algorithm for flexible molecules using normal coordinates

By Buchner Michael Ladanyi Branka

Molecular Physics, Vol. 73, Iss. 5, 1991-08 ,pp. : 1127-1143

Taylor & Francis Ltd

Access to resources Recommend Favorite

Electro-optical properties of dilute solutions of flexible molecules ; the wormlike chain model

By Ladanyi Branka Keyes Thomas

Molecular Physics, Vol. 42, Iss. 3, 1981-02 ,pp. : 501-521

Taylor & Francis Ltd

Access to resources Recommend Favorite

Flexible or rigid molecular models? A study on vapour-liquid equilibrium properties of ammonia

By Engin Cemal Merker Thorsten Vrabec Jadran Hasse Hans

Molecular Physics, Vol. 109, Iss. 4, 2011-02 ,pp. : 619-624

Taylor & Francis Ltd

Access to resources Recommend Favorite

Constrained dynamics of flexible molecules

By van Gunsteren W.F.

Molecular Physics, Vol. 40, Iss. 4, 1980-07 ,pp. : 1015-1019

Taylor & Francis Ltd

Access to resources Recommend Favorite