نتایج جستجو برای: moller plesset
تعداد نتایج: 1319 فیلتر نتایج به سال:
The phenomenon of vibrational resonance (VR) has been investigated in a Rayleigh-Plesset oscillator for gas bubble oscillating an incompressible liquid while driven by dual-frequency force consisting high-frequency, amplitude-modulated, weak, acoustic waves. complex equation the model was expressed as dynamics classical particle potential well Liénard type, thus allowing us to use both numerica...
A model manganese dimer electrocatalyst bridged by μ-OH ligands is used to investigate changes in spin states that may occur during water oxidation. We have employed restricted open-shell Hartree-Fock (ROHF), second-order Møller-Plesset perturbation theory (MP2), complete active space self-consistent field (CASSCF), and multireference second-order Møller-Plesset perturbation theory (MRMP2) calc...
Related Articles The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Møller-Plesset perturbation theory J. Chem. Phys. 136, 014105 (2012) Accurate ab initio quartic force fields of cyclic and bent HC2N isomers J. Chem. Phys. 135, 244310 (2011) Theoretical characterization of intermolecular vibrational states through the multi-configuration...
NICOLAS PUGEAULT∗,§, FLORENTIN WÖRGÖTTER†,¶ and NORBERT KRÜGER‡,‖ ∗Centre for Vision, Speech and Signal Processing, University of Surrey, GU2 7XH Surrey, UK †Computational Neurosciences Group Georg-August-Universität Göttingen, 37083 Göttingen, Germany ‡The Maersk Mc-Kinney Moller Institute, University of Southern Denmark, DK-5230 Odense M, Denmark §[email protected] ¶[email protected]...
A nonlinear Rayleigh–Plesset equation for describing the behavior of a gas bubble in an acoustic field written terms bubble-volume variation is solved through linear iterative procedure. The model validated, and its accuracy fast convergence are shown analysis several examples different physical meanings. simplicity usefulness presented method here relation to direct resolution whole system, wh...
THE EVIDENCE for and against the presence in cells of embryo and foetal mice of transplantation antigens, the cell-bound substances provoking the rejection of allogeneic tissue homografts, rests on two classes of experiments: those relying upon serological techniques for the detection of the antigens, and those involving some test of transplantation antigen activity in intact animals. Experimen...
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