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- W2024389620 abstract "Classical molecular dynamics simulations are applied to isolated tetracene/(n-heptane)n clusters (n=1–12). The spectroscopic shift of the aromatic molecule is calculated via evaluation of the dispersion terms in the perturbation expansion of the intermolecular interactions, using a multipole expansion of the interaction Hamiltonian. Stable structures, their energies and spectral shifts, optical lineshapes and vibrational modes are compared with two-color photo-ionisation spectra of such clusters in a molecular beam [Ben-Horin et al. Chem. Phys. Lett. 177, 153 (1991)]. Calculated shifts are in error by under 10% on average, enabling identification of most features of the experimental spectra." @default.
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- W2024389620 date "1997-11-22" @default.
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- W2024389620 title "Analysis of the optical spectra of aromatic–alkane clusters" @default.
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- W2024389620 doi "https://doi.org/10.1063/1.475160" @default.
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