Cristina Maria P Santos

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The potential energy surface (PES) for the HOBr.H(2)O complex has been investigated using second- and fourth-order Møller-Plesset perturbation theory (MP2, MP4) and coupled cluster theory with single and doubles excitations (CCSD), and a perturbative approximation of triple excitations (CCSD-T), correlated ab initio levels of theory employing basis sets of(More)
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