Water in biological and chemical processes : from structure and dynamics to function by Bagchi, B. (Biman)

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Inorganic Syntheses. by Girolami, Gregory S.

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Atomic-scale modelling of electrochemical systems

Table of Contents: “…Nazmutdinov and Jens Ulstrup</i> -- 2.1 Introduction -- interfacial molecular electrochemistry in recent retrospective 27 -- 2.1.1 An electrochemical renaissance 27 -- 2.1.2 A bioelectrochemical renaissance 27 -- 2.2 Analytical theory of molecular electrochemical ET processes 28 -- 2.2.1 A Reference to molecular ET processes in homogeneous solution 28 -- 2.2.2 Brief discussion of contemporary computational approaches 30 -- 2.2.3 Molecular electrochemical ET processes and general chemical rate theory 31 -- 2.2.4 Some electrochemical ET systems at metal electrodes 35 -- 2.2.4.1 Some outer sphere electrochemical ET processes 35 -- 2.2.4.2 Dissociative ET: the electrochemical peroxodisulfate reduction 38 -- 2.2.5 d-band, cation, and spin catalysis 39 -- 2.2.6 New solvent environments in simple electrochemical ET processes -- ionic liquids 40 -- 2.2.7 Proton transfer, proton conductivity, and proton coupled electron transfer (PCET) 40 -- 2.2.7.1 Some further notes on the nature of PT/PCET processes 44 -- 2.2.7.2 The electrochemical hydrogen evolution reaction, and the Tafel plot on mercury 44 -- 2.3 Ballistic and stochastic (Kramers-Zusman) chemical rate theory 45 -- 2.4 Early and recent views on chemical and electrochemical long-range ET 50 -- 2.5 Molecular-scale electrochemical science 53 -- 2.5.1 Electrochemical in situ STM and AFM 53 -- 2.5.2 Nanoscale mapping of novel electrochemical surfaces 54 -- 2.5.2.1 Self-assembled molecular monolayers (SAMs) of functionalized thiol [192-194] 54 -- 2.5.3 Electrochemical single-molecule ET and conductivity of complex molecules 56 -- 2.5.4 Selected cases of in situ STM and STS of organic and inorganic redox molecules 58 -- 2.5.4.1 The viologens 58 -- 2.5.4.2 Transition metal complexes as single-molecule in operando STM targets 59 -- 2.5.5 Other single-entity nanoscale electrochemistry 61 -- 2.5.5.1 Electrochemistry in low-dimensional carbon confinement 61 -- 2.5.5.2 Electrochemistry of nano- and molecular-scale metallic nanoparticles 62 -- 2.5.6 Elements of nanoscale and single-molecule bioelectrochemistry 63 -- 2.5.6.1 A single-molecule electrochemical metalloprotein target -- <i>P. aeruginosa </i>azurin 63 -- 2.5.6.2 Electrochemical SPMs of metalloenzymes, and some other "puzzles" 65 -- 2.6 Computational approaches to electrochemical surfaces and processes revisited 67 -- 2.6.1 Theoretical methodologies and microscopic structure of electrochemical interfaces 67 -- 2.6.2 The electrochemical process revisited 68 -- 2.7 Quantum and computational electrochemistry in retrospect and prospect 69 -- 2.7.1 Prospective conceptual challenges in quantum and computational electrochemistry 70 -- 2.7.2 Prospective interfacial electrochemical target phenomena 71 -- 2.7.2.1 Some conceptual, theoretical, and experimental notions and challenges 71 -- 2.7.2.2 Non-traditional electrode surfaces and single-entity structure and function 71 -- 2.7.2.3 Semiconductor and semimetal electrodes 72 -- 2.7.2.4 Metal deposition and dissolution processes 72 -- 2.7.2.5 Chiral surfaces and ET processes of chiral molecules 72 -- 2.7.2.6 ET reactions involving hot electrons (femto-electrochemistry) 73 -- 2.8 A few concluding remarks 73 -- Acknowledgement 74 -- References 74 -- Part III </b><b>93</b> -- <b>3 Continuum Embedding Models for Electrolyte Solutions in First-Principles Simulations of Electrochemistry </b><b>95<br /></b><i>Oliviero Andreussi, Francesco Nattino, and Nicolas Georg H?…”
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Advances in applied mathematical analysis and applications

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Plant Functional Genomics

Table of Contents: “…Transcriptomics in Plants: From Expression to Gene Function (Laurent Zimmerli and Shauna Somerville)<br /> Introduction<br /> The Technologies<br /> Experimental Design<br /> Analysis<br /> Data Verification and Quality Checks<br /> Limitations<br /> Perspective<br /> Chapter 5. …”
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Maximum performance with WebSphere application server V5.1 on iSeries

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Hydrophilic interaction chromatography : a guide for practitioners by Pack, Brian W., 1970-

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The Hammer horror series by Williamson, Malcolm, Frankel, Benjamin, Astley, Edwin, Lutyens, Elisabeth, 1906-1983, Bernard, James, 1925-2001, Banks, Don, 1923-1980

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The Hammer horror series. by Williamson, Malcolm, Frankel, Benjamin, Astley, Edwin, Lutyens, Elisabeth, 1906-1983, Bernard, James, 1925-2001, Banks, Don, 1923-1980

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RF Positioning : Fundamentals, Applications, and Tools. by Campos, Rafael Saraiva

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Sex and the brain

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Upscaling of single-and two-phase flow in reservoir engineering by Bruining, Hans

Table of Contents: “…Sheet I contains the permeabilities 2.A.5 The sheet for the well flow potential <BR>2.A.6 The sheet for Productivity/Injectivity indexes 2.A.7 The sheet for the wells 2.A.8 The sheet for flow calculations 2.B Finite element calculations 2.C Sketch of proof of the effective medium approximation formula 2.D Homogenization 3 Time dependent problems in porous media flow 3.1 Transient Pressure Equation 3.1.1 Boundary conditions 3.1.2 The averaged problem in two space dimensions 3.1.3 The problem in radial symmetry 3.1.4 Boundary conditions for radial diffusivity equation 3.1.5 Dimensional analysis for the radial pressure equation; adapted from lecture notes of Larry Lake 3.1.6 Solution of the radial diffusivity equation with the help of Laplace transformation 3.1.7 Laplace transformation 3.1.8 Self similar solution 3.1.9 The dimensional draw-down pressure <BR>3.2 Pressure build up 3.2.2 Time derivatives of pressure response 3.2.3 Practical limitations of pressure build up testing 3.3 Formulation in a bounded reservoir 3.4 Non-Darcy flow 3.A About Boundary condition at r = reD 3.A.1 Exercise, Stehfest algorithm 3.B Rock compressibility 3.B.1 Physical model 3.B.2 Mass balance in constant control volume 3.C Equations disregarding the grain velocity in Darcy's law 3.D Superposition principle 3.E Laplace inversion with the Stehfest algorithm [223] 3.F EXCEL numerical Laplace inversion programme 3.F.1 Alternative inversion techniques 4 Multi-Phase Flow 4.1 Capillary Pressure function 4.1.1 Interfacial tension and capillary rise 4.1.2 Exercise, Laplace formula 4.1.3 Exercise, Young's law 4.1.4 Application to conical tube; Relation between capillary pressure and saturation 4.1.5 Relation between the pore radius and the square root of the permeability divided by the porosity. 4.1.6 Non-dimensionalizing the capillary pressure 4.1.7 Exercise, Ratio grain diameter / pore throat diameter 4.1.8 Three phase capillary pressures 4.1.9 Experimental set up and measurements of capillary pressure 4.1.10 Cross-dip capillary equilibrium 4.1.11 Exercise, Capillary desaturation curve 4.2 Relative permeabilities 4.2.1 Exercise, Brooks-Corey rel-perms 4.2.2 LET relative permeability model 4.2.3 Estimate of the LET parameters 4.2.4 Exercise, Residual oil and Rel-perm 4.3 Theory of Buckley-Leverett 4.3.1 Exercise, Vertical upscaling relative permeability 4.4 Material balance 4.4.1 Solutions of the theory of Buckley-Leverett 4.4.2 Equation of motion (Darcy's Law) and the fractional flow function 4.4.3 Analytical solution of the equations <BR>4.4.4 Construction of the analytical solution; requirement of the entropy condition 4.4.5 Exercise, Buckley Leverett profile with EXCEL 4.4.6 Derivation of the shock condition 4.4.7 Analytical calculation of the production behavior 4.4.8 Exercise, Buckley Leverett production file 4.4.9 Exercise, Analytical Buckley Leverett production curve 4.4.10 Determination of relative permeabilities from production data and pressure measurements 4.4.11 Determination of the relative permeabilities by additional measurement of the pressure drop 4.5 Finite volume approach to obtain the finite difference equations for the Buckley Leverett problem 4.5.1 Exercise, Numerical solution of Buckley Leverett problem 4.6 Vertical equilibrium as a basis for upscaling of relative permeabilities and fractional flow functions 4.6.1 Dake's Upscaling procedure for relative permeabilities 4.6.2 Exercise, Sorting factor dependence 4.6.3 Hopmans's formulation 4.7 Physical Theory of Interface Models 4.7.1 Derivation of interface equation of motion and productions for segregated flow 4.7.2 Stationary interface (Mobility number < Gravity number +1) 4.7.3 Exercise, Interface angle calculations 4.7.4 Production behavior for stationary solution, i.e., M < G + 1 4.8 Non-stationary interface 4.8.1 The volume balance in the form of an interface equation 4.8.2 Dietz-Dupuit-approximation 4.8.3 Approximate Equilibrium Equation 4.8.4 Derivation of flow rate Qwx from Darcy's law 4.8.5 Quasi Stationary Solution of the Dietz-Dupuit Equation for M < G + 1 4.8.6 Exercise, Shock solution versus interface angle solution 4.8.7 Analytical Solutions 4.8.8 Analytical expressions for the interface as a function of position in the reservoir 4.8.9 Analytical expressions for the production behavior 4.8.10 Summary of analytical procedure for interface models 4.8.11 Exercise, Advantage of M G + 1 4.A Numerical approach for interface models 4.A.1 Exercise. …”
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Chemical analysis of antibiotic residues in food

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