Chemical perturbations

Ebook "Many-body methods for atoms, molecules and clusters" provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules.

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Part 2 book "Quantum mechanics" includes content: Time - Independent perturbation theory, the varlation method, WKB approximation, time-dependent perturbation theory, many electronatoms, scattering, relativistic wave equations, elements of field quantization, chemical bonding.

266p muasambanhan10 11-04-2024 7 1   Download

Ebook "Quantum modeling of complex molecular systems" includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems.

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Part 1 book "Applied mathematics and modeling for chemical engineers" includes content: Formulation of physicochemical problems, solution techniques for models yielding ordinary differential equations, series solution methods and special functions, integral functions, staged process models: the calculus of finite differences, approximate solution methods for ode - Perturbation methods.

150p muasambanhan08 01-03-2024 4 1   Download

Part 2 book "Elementary methods of molecular quantum mechanics" includes content: Molecular symmetry and group theoretical methods, angular momentum methods for atoms, valence bond theory and the chemical bond, rayleigh–schroedinger perturbation methods for stationary states, atomic and molecular interactions, evaluation of molecular integrals over stos.

363p muasambanhan08 23-02-2024 3 1   Download

Ebook "Free energy calculations: Theory and applications in chemistry and biology" sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions.

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Part 2 book "Quantum mechanics - 500 problems with solutions" includes content: Angular momentum and spin, time independent perturbation, chemical bonding, variation and wkb methods, relativistic equations, scattering, time dependent perturbation, identical particles.

187p muasambanhan06 03-02-2024 2 1   Download

Understanding the consequences of thermal and chemical variations in aquatic habitats is of importance in a scenario of global change. In ecology, the sex ratio is a major population demographic parameter. So far, research that measured environmental perturbations on fish sex ratios has usually involved a few model species with a strong genetic basis of sex determination, and focused on the study of juvenile or adult gonads. However, the underlying mechanisms at the time of gender commitment are poorly understood.

13p vilarryellison 29-10-2021 9 1   Download

Chemical genomics is an interdisciplinary field that combines small molecule perturbation with traditional genomics to understand gene function and to study the mode(s) of drug action. A benefit of chemical genomic screens is their breadth; each screen can capture the sensitivity of comprehensive collections of mutants or, in the case of mammalian cells, gene knock-downs, simultaneously.

13p viwyoming2711 16-12-2020 12 1   Download

All biological processes are inherently dynamic. Biological systems evolve transiently or sustainably according to sequential time points after perturbation by environment insults, drugs and chemicals. Investigating the temporal behavior of molecular events has been an important subject to understand the underlying mechanisms governing the biological system in response to, such as, drug treatment.

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Methods for inference and comparison of biological networks are emerging as powerful tools for the identification of groups of tightly connected genes whose activity may be altered during disease progression or due to chemical perturbations.

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Cells operate in an uncertain environment, where critical cell decisions must be enacted in the presence of biochemical noise. Information theory can measure the extent to which such noise perturbs normal cellular function, in which cells must perceive environmental cues and relay signals accurately to make timely and informed decisions.

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: Environmental chemical-induced perturbations of gut microbiome are associated with a series of adverse health outcomes. The effects of triclosan on human health have been controversial in recent years.

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Investigations of protein–solute interactions typically show that osmolytes favor native conformations. In this study, the effects of representative compatible and counteracting osmolytes on the reactivationof lactate dehydrogenase from two different conformational states were explored. Contrary to expectations, proline and trimethylamine oxide inhibited both the initial time course and the extent of reactivation of lactate dehydrogenase from bovine heart following dena-turation in guanidine hydrochloride, as well as following inactivation at pH 2.3.

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To probe the stability of the seven-iron ferredoxin from Thermus thermophilus(FdTt), we investigated its chemical and thermal denaturationprocesses insolution.Aspredicted from the crystal structure, FdTt is extremely resistant to perturbation. The guanidine hydrochloride-induced unfolding transition shows a midpoint at 6.5M(pH 7, 20
C), andthe thermalmidpoint is aboveboiling, at 114
C. The stability of FdTt is much lower at acidic pH, suggesting that electrostatic interactions are important for the high stability at higher pH.

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NMR and visible spectroscopy coupled to redox measurements were used to determine the equilibrium thermodynamic properties of the four haems in cytochrome c3 under conditions in which the protein was bound to lig-ands, the small anion phosphate and the protein rubredoxin with the iron in the active site replaced by zinc.

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This Second Edition of the go-to reference combines the classical analysis and modern applications of applied mathematics for chemical engineers. The book introduces traditional techniques for solving ordinary differential equations (ODEs), adding new material on approximate solution methods such as perturbation techniques and elementary numerical solutions. It also includes analytical methods to deal with important classes of finite-difference equations. The last half discusses numerical solution techniques and partial differential equations (PDEs). The read...

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Using an applications perspective Thermodynamic Models for Industrial Applications provides a unified framework for the development of various thermodynamic models, ranging from the classical models to some of the most advanced ones. Among these are the Cubic Plus Association Equation of State (CPA EoS) and the Perturbed Chain Statistical Association Fluid Theory (PC-SAFT). These two advanced models are already in widespread use in industry and academia, especially within the oil and gas, chemical and polymer industries....

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Electrochemistry has been used extensively in the past three decades to determine the chemical composition of environmental samples from the water column, sediments, soils, biofilms, and microbial mats.

406p xunu1311 03-11-2012 79 2   Download

Electrochemistry has been used extensively in the past three decades to determine the chemical composition of environmental samples from the water column, sediments, soils, biofilms, and microbial mats.

0p taurus23 26-09-2012 76 15   Download