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By Zaman Sharif   Smith Kevin  

Molecular Simulation, Vol. 36, Iss. 2, 2010-02 ,pp. : 118-126

Taylor & Francis Ltd

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Structure and vibrational frequencies of 6-chloro-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene: density functional theory study

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Molecular Simulation, Vol. 34, Iss. 5, 2008-04 ,pp. : 567-574

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Density functional study of sulphur hexafluoride (SF6) and its hydrogen derivatives

By Bruska Marta Kinga   Piechota Jacek  

Molecular Simulation, Vol. 34, Iss. 10-15, 2008-09 ,pp. : 1041-1050

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Density functional theory study on the mechanism and thermochemistry of olefins addition to nickel dithiolenes

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Molecular Simulation, Vol. 37, Iss. 10, 2011-09 ,pp. : 813-823

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A density functional theory study on the interaction of hydrogen molecule with MOF-177

By Dangi Ganga   Pillai Renjith   Somani Rajesh   Bajaj Hari   Jasra Raksh  

Molecular Simulation, Vol. 36, Iss. 5, 2010-04 ,pp. : 373-381

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