Bibliographie: Moller, Sebastian: Kieran Maguire (2020): The Price of Football. Understanding Football Club Finance, Newcastle: Agenda Publishing, Beltz Juventa, FuG – Zeitschrift fur Fusball und Gesellschaft, 2-2020, S. 257-259. https://doi.org/10.3224/fug.v2i2.08

The inertial cavitation of bubble clouds has been considered to be the hidden crucial mechanism for recent new therapeutic ultrasound applications such as Histotripsy and the ultrasound drug delivery. Although many models are already put forward to simulate the cavitation process, due to the inaccessible experimental validation, which model works closest to the real world situation is not well ...

MP2 provides a good description of hydrogen bonding in water clusters and includes longrange dispersion interactions without the need to introduce empirical elements in the description of the interatomic potential. To assess its performance for bulk liquid water under ambient conditions, an isobaric-isothermal (NpT) Monte Carlo simulation at the second-order Moller-Plesset perturbation theory l...

High-level ab initio calculations have been carried out to reexamine relative stability of bowl, cage, and ring isomers of C(20) and C(20)(-). The total electronic energies of the three isomers show different energy orderings, strongly depending on the hybrid functionals selected. It is found that among three popular hybrid density-functional (DF) methods B3LYP, B3PW91, PBE1PBE, and a new hybri...

The Rayleigh-Plesset equation is used extensively to model spherical bubble dynamics, yet it has been shown that it cannot correctly capture damping effects due to mass and thermal diffusion. Full single bubble models have been successfully used to study these diffusion effects, but these are too computationally expensive to implement into the continuum model for bubbly cavitating flows since t...

8. Koizumi H, Kumakiri M, Ishizuka M, Ohkawara A, Okabe S. Leukaemia cutis in acute myelomonocytic leukaemia: infiltration of minor traumas and scars. J Dermatol. 1991;18:281--5. 9. Kristensen IB, Moller H, Kjaershov MW, Yderstraede K, Moller MB, Bergmann OJ. Myeloid sarcoma developing in pre-existing pyoderma gangrenoso. Acta Derm Venereol. 2009;89:175--7. 10. Guinovart RM, Carrascosa JM, Ferr...

The uncatalyzed, thermal N-inversion reactions were studied of pyrimidin-4(3H)-imine (PMI), pyridin-2(1H)-imine (PYI), and 1H-purine-6(9H)-imine (PUI). Relevant regions of the potential energy surfaces were explored with second-order Moller-Plesset perturbation theory (MP2(full)/6-31G(d)) and with coupled cluster theory (CCSD/6-31G(d), CCSD/6-31+G(d)). The thermochemistry of stationary structur...

Pair interaction potentials (IPs) were defined to describe the La(3+)-OH(2) interaction for simulating the La(3+) hydration in aqueous solution. La(3+)-OH(2) IPs are taken from the literature or parametrized essentially to reproduce ab initio calculations at the second-order Moller-Plesset level of theory on La(H(2)O)(8) (3+). The IPs are compared and used with molecular dynamics (MD) including...

Electron-electron and electron-nucleus correlation effects on exponent (alpha) values of Gaussian-type functions (GTFs) for quantum protons and deuterons in BH3, CH4, NH3, H2O, and HF molecular systems and their deuterated counterparts were analyzed using the second-order Moller-Plesset (MP2) level of theory of the multicomponent molecular orbital (MCMO-MP2) method. This method can simultaneous...

The ultimate aim of the present work is to establish an acceptable level of computation for the van der waals (vdw) complexes that is able to pick up appreciable amount of dispersion interaction energy, reproduce the equilibrium separation within the acceptable limits and at the same time cost and time effective. In order to reach this aim vdw clusters where pure isotropic dispersion interactio...