by Nikolai V. Shokhirev
This is SQLite2 database of my pyblications (see my tutorial)
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Publications
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Magnetic Spectroscopy, Spin Chemistry.
1D-, 2D- and pulse- NMR and EPR, Line shape, 2D-maps, Temperature dependence of Chemical shifts,
Magnetic Effects in chemical reactions, CIDNP, CEDEP.
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Quantum Chemistry and Molecular Modeling.
Semi-empirical and ab initio Electronic structure, Energy, Spin density,
Monte Carlo simulations, Recombination, Solvation.
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Structure and properties of bio-inorganic complexes.
Model hemes, heme proteins, cytochromes, Interpretation of NMR and EPR measurements.
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Optical and Mössbauer Spectroscopy.
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Reactions, Kinetics, Thermodynamics.
Radical recombination, Electron transfer, Diffusion-controlled processes,
Photochemistry, Electrochemistry.
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Inverse problems, Data Processing, Imaging.
Processing of indirect measurements, Accuracy and Resolution analysis.
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Structure of simple liquids and crystals, X-Ray diffraction.
Interface structure, Quasithermodynamics, Internal and Thermal pressure,
Forbidden Bragg reflections, Electronic structure.
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Environmental Science.
Atmospheric aerosol size distribution, Pollution control,
Plant transpiration and aerosol absorption.
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Partial Differential Equations.. DIffusion, Kinetics.
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Stochastic modeling, Monte Carlo.. Recombination in clusters, Integration.
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Fourier Analysis, Time Series.. Pulse spectroscopy.
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Integral Equations.. Fregholm integral equations of the 1st kind, Incorrect inverse problems.
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Green Function.. Kinetics, Spin dynamics.
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Linear Algebra.. Eigenvalue problem, SVD, SLE.
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Optimization, Fitting.. Magnetic spectroscopy, Electrochemistry, Thermodynamics.
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Numerical Algorithms.. Integration, ODE, PDE, Linear algebra, Data processing,
Inverse problemsm, Optimization, Fitting, Parameter reconstruction, Pattern identification,
Interpolation, Time series.
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Statistical Physics.. Molecular and spin systems.
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Publications
©Nikolai V. Shokhirev, 2001-2008