Author(s): Nguyen TN; Timerghazin QK; Vach H; Peslherbe GH;
Molecular electronic excitation in (O(2))(n) clusters induced by mechanical collisions via the "chemistry with a hammer" is investigated by a combination of molecular dynamics simulations and quantum chemistry calculations. Complete active space self-consis ...
Article GUID: 21322678
Author(s): Mak CC; Timerghazin QK; Peslherbe GH;
Upon photoexcitation of iodide-water clusters, I(-)(H(2)O)(n), an electron is transferred from iodide to a diffuse cluster-supported, dipole-bound orbital. Recent femtosecond photoelectron spectroscopy experiments have shown that, for photoexcited I(-)(H(2) ...
Article GUID: 22466252
Author(s): Mak CC; Timerghazin QK; Peslherbe GH;
Photoexcitation of iodide-acetonitrile clusters, I(-)(CH3CN)n, to the charge-transfer-to-solvent (CTTS) state and subsequent cluster relaxation could result in the possible formation of cluster analogues of the bulk solvated electron. In this work, the rela ...
Article GUID: 23819756
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