• Ab initio static and molecular dynamics study of 4-styrylpyridine: Structure, energy and reactivity of the cis and trans isomers in the ground state
    L.M. Lawson Daku, J. Linares and M.-L. Boillot
    ChemPhysChem, 8 (9) (2007), p1402-1416
    Keywords: ab initio calculations; density functional calculations; isomerization; molecular dynamics; transition states
    DOI:10.1002/cphc.200700117 | unige:3195 | Abstract | Article HTML | Article PDF



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