Titlebook: Quantum Systems in Physics, Chemistry, and Biology; Advances in Concepts Alia Tadjer,Rossen Pavlov,Gerardo Delgado-Barrio Conference procee

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Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metalsthe catalytic activity for metals, binary metallic alloys and semiconductor materials. The solutions of some model tasks associated with stabilization of ionic states of atomic hydrogen and molecular oxygen in effective electron gas are given. Within the approach the quantitative correlation between

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Landau Quantisation of Electron Motion in the Crust of Highly Magnetised Neutron Stars cosmic laboratories for probing the properties of matter under extreme conditions. The outermost layer of a neutron star is thought to consist of a solid crust, whose atoms are fully ionised by the huge pressure. Electrons are expected to be highly degenerate and form an essentially ideal relativis

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On the Inter-Ring Torsion Potential of 2,2′-Bithiophene: A Review of Open Problems and Current Propoithiophene. The review first summarizes the earlier studies (since late 1960s), in which the most energetically favourable conformations of the molecule have been characterized for the first time. It then examines the one-dimensional potentials of internal rotation calculated using semiempirical, Ha

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Theoretical Exploration of the Vibrational Structure and IVR of S0 Thiophosgene at High Excitation Eally excited .. thiophosgene (in the range of dissociation at ~20000 cm.), using our recently developed vibrational variational calculation method and a recently derived refined and modified quartic potential energy surface. We also present and discuss some new results, especially concerning the sta

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Why is the “Donor-Acceptor” Stretching a , in Understanding the Vibrational Signatures of Ionic Hydr.O.., (MeOH).H., and (Me.O).H.. Two-dimensional vibrational calculations were performed at MP2/aug-cc-pVDZ level using the method of discrete variable representation (DVR). It was found that in bare Zundel dimers, the first overtone of O–O stretch does not couple with IHB fundamental, ruling out the

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Relativistic Many-Body Perturbation Theory Calculations of the Hyperfine Structure and Oscillator Stine structure constants for some heavy Li-like multicharged ions and alkali (caesium) atoms. The exchange-correlation, nuclear and radiative corrections are correctly and effectively taken into account. The modified Uehling-Serber approximation is used to take into account for the Lamb shift polariz

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