A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field

By Kulschewski Tobias   Pleiss Jürgen  

Molecular Simulation, Vol. 39, Iss. 9, 2013-08 ,pp. : 754-767

Taylor & Francis Ltd

Access to resources Recommend Favorite

Structure and dynamics of cumene and 1,2,4-trimethylbenzene mixture in NaY zeolite: a molecular dynamics simulation study

By Varanasi Srinivasa Rao   Yashonath S.  

Molecular Simulation, Vol. 41, Iss. 5-6, 2015-04 ,pp. : 423-431

Taylor & Francis Ltd

Access to resources Recommend Favorite

The self-diffusion and hydrogen bond interaction in neat liquid alkanols: a molecular dynamic simulation study

By Feng Huajie   Gao Wei   Sun Zhenfan   Chen Liuping   Lüdemann Hans-Dietrich   Lei Bingxin   Li Gaonan  

Molecular Simulation, Vol. 40, Iss. 13, 2014-10 ,pp. : 1074-1084

Taylor & Francis Ltd

Access to resources Recommend Favorite

A molecular dynamics simulation of the structure and properties of a self assembled monolayer formed from an amphiphilic polymer on a water surface

By Leith D.   Morton-Blake D. A.  

Molecular Simulation, Vol. 31, Iss. 14-15, 2005-12 ,pp. : 987-997

Taylor & Francis Ltd

Access to resources Recommend Favorite

Molecular dynamics simulation of self-assembled nanocubes in methanol

By Mashiko Takako   Yamada Kenta   Hiraoka Shuichi   Nagashima Umpei   Tachikawa Masanori  

Molecular Simulation, Vol. 41, Iss. 10-12, 2015-08 ,pp. : 845-849

Taylor & Francis Ltd

Access to resources Recommend Favorite