An ab initio molecular orbital study of the electronically excited and cationic states of the ozone molecule and a comparison with spectral data

By Palmer Michael H.   Nelson Alistair D.  

Molecular Physics, Vol. 100, Iss. 22, 2002-11 ,pp. : 3601-3614

Taylor & Francis Ltd

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Extensive ab initio study of the electronic states of S₂ molecule including spin-orbit coupling

By Xing Wei   Shi Deheng   Sun Jinfeng   Liu Hui   Zhu Zunlue  

Molecular Physics, Vol. 111, Iss. 5, 2013-03 ,pp. : 673-685

Taylor & Francis Ltd

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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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Ab initio study of the aromaticity of hydrogenated fullerenes

By Lier G.   Proft F.   Geerlings P.  

Physics of the Solid State, Vol. 44, Iss. 3, 2002-03 ,pp. : 588-592

MAIK Nauka/Interperiodica

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Ab initio study of superoxide anion-water clusters O^-₂ (H₂O) _{n = 1-5}

By Lee Han Myoung   Kim Kwang S.  

Molecular Physics, Vol. 100, Iss. 6, 2002-03 ,pp. : 875-879

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