Titlebook: Advances in the Theory of Atomic and Molecular Systems; Dynamics, Spectrosco Piotr Piecuch,Jean Maruani,Stephen Wilson Book 2009 Springer S

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Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oliucture of polarons and bipolarons with account of the solvent effect has not been exhausted. Alongside with conductivity, the optical and magnetic properties of the polymer related to its practical application could be rationalized by the elucidation of this problem. The purpose of this chapter is t

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Quantum Theory in Terms of Cumulant Variablesmolecular vibrations, (3) quantum tunneling in quantum well, and (4) proton-transfer reactions in DNA base pairs. The results are quite useful for understanding underlying quantum nature of these systems of interests.

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Structural Properties and Torsional Dynamics of Peroxides and Persulfidesermolecular interactions, of specific importance for collisional chirality exchange, an exploration was done for both H.O.– and H.S.–rare gases systems, extending the joint experimental and theoretical approach already tackled in this laboratory for interactions of H.O and H.S with the rare gases.

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Quantum Chemical Approach to Interatomic Decay Rates in Clustersre determined by an interplay between the electronic decay process and the nucleardynamics. Key to the reliable prediction of the observable quantities is the knowledge of the time scale of the interatomic decay. Here we review the recent progress in the development of ab initio quantum chemical met

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Level-Structure and Magnetic Properties from One-Electron Atoms to Clusters with Delocalized Electroation and compared with a new model we introduce to rationalize the significantly different level structure we observe for the high-spin. This structure turns out to be related to the eigenstates of the harmonic oscillator, a feature known from the description of single-particle states in quantum do

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1567-7354 udents, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering..978-94-007-3052-6978-90-481-2985-0Series ISSN 1567-7354 Series E-ISSN 2215-0129

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