An ab initio molecular orbital study of the anions O 2 - · H 2 O and O 2 - · CO 2

By Lee E.P.F.   Dyke J.M.  

Molecular Physics, Vol. 74, Iss. 2, 1991-10 ,pp. : 333-351

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Ab initio molecular orbital calculations on hydrogen- and non-hydrogen-bonded complexes. H 2 CO·H 2 O and H 2 CO·H 2 S

By Ahlström M.   Jönsson B.   Karlström G.  

Molecular Physics, Vol. 38, Iss. 4, 1979-10 ,pp. : 1051-1059

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Direct ab initio dynamics calculations of the reaction rate for the hydrogen abstraction reaction of NCO with CH4 and C2H6

By Pan Ya-Ru   Tang Yi-Zhen   Sun Jing-Yu   Sun Hao   Wang Rong-Shun  

Molecular Physics, Vol. 106, Iss. 19, 2008-10 ,pp. : 2255-2261

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An Ab Initio molecular orbital study of protonated water clusters, H(H 2 O) n + n = 1 to 5, at the SCF and MP2 levels

By Lee E.P.F.   Dyke J.M.  

Molecular Physics, Vol. 73, Iss. 2, 1991-06 ,pp. : 375-405

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Ab initio investigation of the gas phase reaction SO₂ + H₂O → SO₂OH radical

By Moore-Plummer Patricia L.   Wu Richu   Flenner Jennifer J.  

Molecular Physics, Vol. 100, Iss. 11, 2002-06 ,pp. : 1847-1853

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