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By Barnhoorn J.B.S.   De Lange C.A.  

Molecular Physics, Vol. 82, Iss. 4, 1994-07 ,pp. : 651-675

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Ab initio molecular dynamics of liquid carbon disulphide

By Ackland G. J.   Clark S. J.  

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Ab initio solid-state heats of formation of molecular salts from ion packing and crystal modelling: application to ammonium crystals

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Molecular Physics, Vol. 102, Iss. 3, 2004-02 ,pp. : 253-258

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The use of molecular dynamics simulations with ab initio SCF calculations for the determination of the oxygen-17 quadrupole coupling constant in liquid water

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Molecular Physics, Vol. 80, Iss. 5, 1993-12 ,pp. : 1177-1182

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Generalised hydrodynamic description of the time correlation functions of liquid metals: ab initio molecular dynamics study

By Bryk Taras   Ruocco Giancarlo  

Molecular Physics, Vol. 111, Iss. 22-23, 2013-12 ,pp. : 3457-3464

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