... Applications of Molecular Mechanics to Metal Complexes" . ... Molecular mechanics study of the mixed-ligand lanthanide complexes using Gillespie-Kepert model . ... Within MM-GK, the same parameters are applicable to complexes of different coordination numbers/polyhedra. ... Gillespie-Kepert model . ... Using derived computational parameters, we calculated the geometry of 39 lanthanide ion nonaaqua complexes, 6 octaaqua complexes and 18 beta- diketonate and aqua-beta-diketonate complexes. ...

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Brain Research Group >> Research >> Change-point analysis ... << previous next >> . ... It is necessary to note that a change-point detection method which we applied to a real EEG signal was developed on the basis of the piecewise stationarity model of the signal. ... The data presented in this Chapter demonstrate that the effective detection of the change-points opens the way for a number of new methods of the analysis of complex signals such as the EEG. ...

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• Laboratory of Mechanics of Multiphase Media: Archive 2011

... Multi-scale realized volatility 2. ... Modeling realized measures Forecasting evaluation Multivariate realized measures Applications Textbooks Andersen T.G. , R. A. Davis, J-P. Kreiss, and T. Mikosch (eds) (2009) Handbook of Financial Time Series, Springer-Verlag. ... References Andersen, T. G., Bollerslev, T., and Diebold, F. X. (2009): "Parametric and nonparametric volatility measurement," in Ait-Sahalia, Y. and Hansen, L. P., editors, Handbook of Financial Econometrics, volume 1, chapter 2. ...

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Large-scale QC modeling using PC GAMESS package. ... PC GAMESS vs. ... Modeling of large systems linear scaling methods for HF, DFT , CIS, TDHF, and TDDFT Linear scaling methods , current status Fast linear scaling Coulomb (J matrix) assembly via QFMM and near-field J engine State-of-the-art grid-based ExchangeCorrelation integration for linear scaling DFT and TDDFT State-of-the-art linear scaling HF exchange (K matrix) assembly for HF, hybrid ...

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... The factors that play the key role in complex formation are as follows: the rate of protein diffusion to the docking site; long-range electrostatic interactions between protein surfaces, geometric and chemical complementarity of binding areas; molecular mobility at the protein­protein interphase, hydrogen bonds, Van der Waals interactions, hydrophobic interactions, and salt bridges. ... Three-dimensional protein molecules are constructed on the basis of data extracted from the Protein Data Bank. ...

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Heat transfer intensification on surfaces with 'eddy generating' relief at supersonic velocity of incident flow . ... Temperature field on plates with 'eddy generating' relief (dimples and projections) М=3.1 . Local coefficients of heat transfer distribution on plates with 'eddy generating' relief (dimples and projections) and a smooth plate flown over by supersonic air stream M=3 . ... Temperature distribution during flowing of supersonic stream over a single dimple . ...

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A GENETIC ALGORHYTM FOR OPTIMIZING A NEURAL NETWORK CAPABLE TO LEARN FOR FOOD SEARCHING IN A RADIAL MAZE Budilova E.V., Chepurnova N.E., Chepurnov S.A, Teriokhin A.T. M.V.Lomonosov Moscow State University, Dept. of Biology. ... The upper platform has a hole in the middle and several radially directed tubular canals ("arms") each of which can contain a peace of food and has doors opening only in the centrifugal direction. ... The task of the animal is to visit only those arms which contain food. ...

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... Moskovsky Alexander . ... Rogov Alexander . Modeling the reaction of hydrolysis of peptide bonds by trypsin by using quntum mechanical - molecular mechanical methods . ... Title: "Modeling Spectra of Molecular Clusters by Quantum Chemistry and Molecular Dynamics Methods" . ... Title: "Development of the Combined Quantum Mechanical - Molecular Mechanical Methods" . ... Title: "Modeling mechanisms of enzymatic hydrolysis reactions by the combined quantum mechanical - molecular mechanical methods" . ...

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... The traditional answer to this question is unequivocal: тАЬno, public scholarship cannot and should not exist.тАЭ To popularize knowledge is to simplify, and simplification risks the loss of nuance and complexity, the very essence of scholarly knowledge. ... The public sphere can know but a distorted version of scholarly knowledge. ... You need JavaScript enabled to view it. (with Summer School-2016 in the subject line) before April 25, 2016. ... Summer School Archives . ...

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... A one-dimensional model of shallow reservoir thermodynamics either describing physical processes in underlying soil layer is constructed. The model simulates seasonal dynamics of lake (including ice and snow layer formation) and year to year variability. A number of numerical experiments is performed; model and natural data are compared. ... S = S0 (sin cos + cos cos cos ). ... 2002, C. 83­87. ... Carbon Dioxide Information Analysis Center, Oak Ridge National Laboratory, Oak Ridge, Tennessee. ...

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... download [ 61679 ] . Effects of the Seafloor Topography on Tsunami Generation Explored for the Messina 1908 tsunami through 2-D finite element modeling . ... What Evidence Exists for Paleotsunami Triggered by Local Earthquakes in the Wellington Region of New Zealand? ... Didenkulova I. I. and Pelinovsky E. N. (Russia) . ... Near-Shore Oceanic Earthquakes: Application of Acoustic Methods to Detect Earthquake Precursory Phenomena and Possible Improvements of Tsunami Warning Systems . ...

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... Полная версия этой страницы: PhD positions in Switzerland . Студенческий форум Физфака МГУ > Физфак и учеба > Аспирантура . ... 2 PhD positions in multiscale modeling of cancer tumor induced microcirculation . ... The students will be enrolled in the graduate program in the Faculty of Informatics, and will work with Prof. Igor Pivkin on multiscale modeling of tumor induced microcirculation. ... Multiscale Modeling of Tumor Microcirculation . ... All PhD positions have a starting date January 2012. ...

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... Borisov, Prof. V.I. Novoderezhkin, PhD E.A. Kotova, PhD A.S. Taisova. ... Major research advances: Demonstration of picosecond-scale processes of energy transfer from light-harvesting chlorophyll to reaction centers in purple and green bacteria and plant photosystem I [Borisov AY, Godik VI. ... Bioelectrochemistry 2003; 59: 113-9. 2. van Grondelle R, Novoderezhkin V. The Dynamics of Excitation Energy Transfer in the LH1 and LH2 Light-Harvesting Complexes of Photosynthetic Bacteria. ... Borisov AY. ...

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