····· lezzter Preis 40.90€ ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray In der vorliegenden Arbeit wurde ein Näherungsmodell zur Berechnung von CCSD-R12--Grundzustandsenergien unter Verwendung von Auxiliarbasisfunktionen im Rahmen vonAnsatz 1 erfolgreich entwickelt.Des Weiteren wurde durch die vorliegende Arbeit erstmals die Berechnung von CC2-Anregungsenergien unter Verwendung von explizit korrelierten Wellenfunktionen im Rahmen der Ansätze 1 und 2 mit Auxiliarbasisfunktionen möglich. ····· 10361164314
····· lezzter Preis 78.00€ ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Der Chemiker Alfred Werner wurde 1866 in Mülhausen im Elsass geboren und starb 1919 in Zürich als schweizerischer Staatsbürger. Werner studierte technische Chemie und war Schüler und später Kollege des deutschen Chemikers Arthur Rudolf Hantzsch. Der Schwerpunkt seiner Untersuchungen lagen in der Erforschung von Koordinationsverbindungen. Im Jahr 1913 wurde ihm für die Erforschung der Bindungsverhältnisse der Atome im Molekül der Nobelpreis für Chemie verliehen. Der Professor für Chemie an der Universität Zürich Alfred Werner war korrespondierendes Mitglied der Königlichen Gesellschaft der Wissenschaften in Göttingen und der Physikalisch-Medizinischen Sozietät in Erlangen. Von der Universität Genf bekam er die Ehrendoktorwürde verliehen. ····· 10361159274
····· lezzter Preis 24.90€ ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Ein Werk des Chemie-Nobelpreisträgers William Ramsay, im Original 1908 erschienen. ····· ····· ····· ····· ····· ····· ····· ····· ····· ····· ····· ····· ····· ····· ····· ····· 10361150863
für 61.20€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray This book provides a background on usage of computer simulation protocols to study the dynamic features of biological molecules.Some life processes such as protein fonding take place very fast for human observation. Thus, peptide folding as an important process in all living organisms, needs to be subjected to theoretical means of research in addition to experimental investigations. It is hoped that the information obtained from such theoretical approaches validates the published experimental data, thereby shifting the frontiers of knowledge of life processes and elucidating causes of mulfunctions resulting in protein misfolding. The development and refinement of computational tools for applications in biomolecular simulations represent some of the modern ways of problem solving, resulting in elucidation of pepetide and protein structures associated with disease conditions. This vital information enables researchers to design peptide-like molecules which are potentially used as lead agents in drug discovery. This is called computer-aided drug design. This work has highlighted the role of computer simulations in biology, research and how it can contribute to drug development. ····· 10361146368
für 32.90€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Eigentlich eher auf technischem Gebiet tätig, legt der Chemiker Arthur von Weinberg nun eine theoretische Ausarbeitung seiner Theorie vor. Weinbergs Abhandlung zur kinetischen Stereochemie der Kohlenstoffverbindungen folgt dabei in ihren Ansichten der Schule Baeyers und van t Hoffs.Sorgfältig bearbeiteter Nachdruck der Originalausgabe von 1914. ····· 10361139231
für 62.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Durante el desarrollo del presente trabajo se generaron y se estudiaron nuevos materiales y dispositivos optoelectrónicos orgánicos. Se presenta el diseño, síntesis, caracterización y evaluación de sistemas optoelectrónicos de conversión de energía solar en energía eléctrica y sistemas electrocrómicos poliméricos. Se estudiaron los procesos básicos de transferencia de cargas en dispositivos de conversión de energía solar que funcionan en base a la sensibilización espectral de electrodos de óxidos nanoestructurados. Se analizaron principalmente los efectos sobre la cinética de transferencia heterogénea de cargas por parte de distintos electrolitos presentes en los dispositivos de conversión de energía y los métodos de preparación de los fotoelectrodos en sistemas modelo. Se generaron nuevos polímeros conductores a partir de moléculas derivadas del fluoreno, las cuales poseen sustituyentes con propiedades donoras-aceptoras de electrones, lo que les confiere la potencialidad de actuar como transportadores de cargas. De este modo pueden formar películas que luego puedan utilizarse como materiales optoeléctricos y como medio de transporte de cargas. ····· 10361137425
für 26.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Pocos textos de Cinética Química, presentan con claridad los conceptos y métodos rigurosos de demostraciones matemáticas hechos en esta obra. Las formas modernas de la enseñanza de la Fisicoquímica se basan en los métodos didácticos en temas tan complicados como lo es la Cinética Química. Es por ello, que se escogió como unidad principal el estudio de las Reacciones Sencillas, haciendo demostraciones matemáticas, resolución de problemas, cuestionarios con sus respectivas resoluciones, para hacer de la obra un método de enseñanza más entendible para el estudiante, que empieza a adentrarse en este campo del saber. Tales enfoques que se dan en esta obra de los profesores E. Riera y B. Hidalgo, se emplean para el mayor entendimiento de los estudiantes el método didáctico de resolución de problemas y graficación. Los estudiantes de Ciencia, especialmente los de la rama de Química y Bioquímica han de saber de apreciar esta herramienta y su utilización en la resolución de problemas. A estos estudiantes es que va dirigido el manuscrito. ····· 10361137375
für 71.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Recently the using of erasable ball pen increased the likelihood of erased or decolorized writing in ink featuring in criminal activity in which these inks were used frequently throughout our lives to signed or writing documents , thus the writing by these inks can be removed by rubber eraser,converted the valid documents to forged documents.Therefore an adequate and accurate approaches and treatments for the protection of paper documents and writing by erasable inks in these documents are urgently needed . This work is in progress to achieve a deeper insight to establish the application of the graft copolymerization method using vinyl comonomers as a new technique for document preservation and opens the way to preservation and restoration of cellulosic paper sheet , which belong to the field of cultural heritage . Our work alerts the forensic science community to the existence of the erasable ball pen and the possibility to contribute in the development of criminal activity in the field of forgery . ····· 10361133995
für 44.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray In recent years, there has been a rising demand to for efficient ways to foil fouling due to bacterial strains associated with ever-growing polymeric biomaterials. Such efforts have been classified within interdisciplinary realm of Biointerface. In that connection, several directions have been so far explored to render polymers of potential bacterial repulsion. To this end, engineering the material surface has received much interest on account of the advantages involved. The target surface is accommodated to elicit the wanted response when exposed to pathogenic strains. This is achieved via inclusion of antibacterial entities into topmost layers through a pathway which guarantees sustainability. The topic has been put into spotlight in the present book which covers three thematically organized chapters. In the beginning, an introductory part is included giving a succinct background on surface engineering significance for biological intentions. It is followed by a chapter on the surface methodology. The concluding part containing a synopsis of the major findings is presented. It is expected the current work to be fruitful for the individuals interested in similar topics. ····· 10361133815
für 44.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Chlorine is an important reactant in industrial synthesis of organic polymers and solvents. This halogen also serves an important role in the promising processes of chlorine metallurgy. Hydrogen chloride is a common by-product in these processes, and recovery of chlorine from this waste is an important problem. The most attractive approach to this problem is catalytic oxidation of hydrogen chloride by oxygen (known as the Deacon process) since it allows to decrease electrical energy consumption by an order of magnitude, compared to electrolytic methods commonly used for this waste material processing. This book presents a study of hydrogen chloride oxidation over catalysts based on vanadium(V) oxide, use of which for said purpose is practically unresearched. Activity and stability of the studied catalysts considerably exceed the corresponding results given in any published data. The maximum obtained productivity values are greater than those of all known Deacon reaction catalysts, except for ruthenium catalysts. This book also contains a literature review regarding the prominent industrial and experimental methods of chlorine production. ····· 10361133091
für 53.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Cytochrome enzymes (CYP) have a vital role in the metabolism of all nutrition and have been a subject of study for many decades. Currently it is important to elucidate their reactivity using modern techniques to be able to understand its function in the drug metabolism completely and thus to be able to develop new drugs which are able to act faster with less side effects. This dissertation provides combinatorial technique to investigate the catalytic role of CYP enzymes and it takes CYP1A2 as example. The results shown here explain clearly the role of the amino acids surrounding the active site in the activity of the enzyme. Even though, all the CYP consist of the same active site (Heme moiety) however they show different catalytic functions depend on the surrounding amino acids. Such characteristics cannot be followed using normal methods and it requires novel techniques such as the explained in this book ····· 10361132795
für 53.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Water is one of the most interesting chemical systems to study. Investigation of water clusters can help to understand unique properties of condensed phase and particulate H2O. One of the main problems encountered while studying these systems is the global minimum problem. The potential energy landscape of water clusters becomes more and more complicated with growing number of water molecules. In this work we use a combined approach to search of minima of water clusters. It is based on a combination of three different computational techniques. The first is based on classical molecular dynamics. The second algorithm is aimed at improving orientational structure of water molecules within a given cluster, using a Monte Carlo approach. The third algorithm is based on a Diffusion Monte Carlo method (DMC) combined with local minimization (i.e. PES deformation). The proposed approach is tested on TIP4P water cluster systems. The low energy structures obtained from our optimization scheme are used for analysis of the tendency of transition from amorphous (small clusters) toward ordered, crystal-like structures (big clusters). ····· 10361132449
für 53.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Experimental measurements of some thermodynamic parameters involve experimental difficulties and the corresponding methods possess real drawbacks. Consequently, it is necessary to resort to a theoretical calculation of these parameters. Literature reveals that the first order valence connectivity (1 v ) van der waals volume (vW), electrotopological state index ( E ) and refractotopological state index (R ),the important structural ,size and electronic parameters have been found to be one of the most fundamental characteristics of the physical properties of organic molecules.In the present study, the thermodynamic properties, e.g., standard specific heat capacities (Cpo), standard entropy (So), change of standard Gibb s free energy ( Gfo), change of enthalpy of formation ( Hf 0), enthalpy of vaporization ( Hv), enthalpy of sublimation ( Hs ) and enthalpy of melting ( Hm ) have been found to be significantly correlated with the size, structural and electronic parameters,with the above structural ,size and electronic parametersTherefore, these structural, size and electronic parameters can be used for the theoretically estimation of the above thermodynamic properties. ····· 10361131995
für 44.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Keto-enol equilibria in catechol have been studied using ab initio methods and first principle density functional theory. Six structural isomers of CHO were fully optimized in gas phase at HF and B3LYP levels of theory in combination with the 6-311++G basis set. Self-Consistent Reaction Field Polarizable Continuum Model (SCRF-PCM) was used to investigate the effect of an aqueous solvent on the extent of tautomerisation at the two above mentioned model chemistries. In addition, gas phase electronic and Gibbs free energies for the six molecules were computed using the CBS-QB3 method, and the G3 approach to obtain highly accurate relative energies. It was found that the two dienol isomers are always lower in energy than the other species, and predominate. Resonance stabilization arising from aromaticity in these six-member cyclic systems is posited, and is understood on the basis of Hückel s theory. ····· 10361118815
für 44.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray The study presents preparation and characterization of layer-by-layer assembled ultra-thin films. The versatility of layer-by-layer approach gives opportunity to prepare these ultra-thin films with different building blocks and investigate them using several spectroscopic techniques. The study focuses on characterization of layer-by- layer deposited ultra-thin polyelectrolyte layers on Si/SiO2 substrate by XPS, incorporation of Au and/or Ag nanoparticles in between polyelectrolyte layers using LbL deposition and investigation of their optical responses by UV-vis absorption spectroscopy and incorporation of Au ions into layer-by-layer assembled polyelectrolyte multilayers via ion- exchange and their subsequent reduction. ····· 10361118562
····· lezzter Preis 53.10€ ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Superionic conductors are solid compounds in which electric current is carried by charged atoms, i.e. by ions. The passage of current is thus associated with mass transfer. Such ionic conductors are called superionic conductors and sometimes composites solid electrolytes, by analogy to liquid electrolyte solutions, and have permitted development of a new scientific discipline called solid state electrochemistry. Composite materials are heterogeneous materials of solid phases. The effect of heterogeneous doping strongly depends on the chemical nature of components and the morphology of the system. This new class of solid electrolytes interfaces called ion conducting electrolytes made up of ionic salt and insulating chemically inert component, affects the properties of composite materials at low, moderate as well as high temperatures. ····· 10361118366
für 61.20€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Cancer has a high mortality rate worldwide till date. Several approaches viz., surgery, radiation therapyand chemotherapy have been employed to treat cancer. Since new anticancer drugs have been discovered, thecuring rate of chemotherapy has improved over thelast decades. Designing and development of new drugsfrom the laboratory bench to the clinic is a complex,expensive, and very time consuming task. In thiscontext rational computer-aided drug design with thehelp of available data, especially the insilico-based quantitative structure-activityrelationship (QSAR) techniques have emerged as apromising alternative tool toward the effectivescreening of potential drugs. In this book, theauthors present the comprehensive structure-activitymodelling of some anticancer drugs using DensityFunctional Theory (DFT) based reactivity descriptors. Further, the theoretical studies of platinumdrug-DNA adduct provide the evidence ofintermolecular proton transfer between the base pairswhich explains the damage of DNA when the drugmolecule binds with it. This book will be helpfulfor researchers working in the field of medicinalchemistry and drug design. ····· 10361118165
für 61.20€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray This work describes the interaction of atomic hydrogen with defects at GaAs surfaces and Si/SiO2 interfaces. By continuously monitoring the photoluminescence of a GaAs wafer in a discharge-flow system it was observed that there was an initial irreversible passivation of the surface in the presence of the hydrogen atoms. This was followed by an improved, reversible passivation that occurred when the exposure to atomic hydrogen was discontinued. Similar results were obtained when the concentration of defects at the interface of Si/SiO2 was monitored continuously, in situ, with a remote radio frequency (RF) probe that measured the steady-state photogenerated carriers. By comparing the GaAs and Si/SiO2 systems it was concluded that hydrogen atoms could be trapped at interstitial sites near both interfaces. The reaction of molecular hydrogen with defects at Si/SiO2 interfaces was also investigated using the RF-probe. The results indicated the presence of other interfacial defects that react with H2, which could not be detected in earlier electron paramagnetic resonance studies. ····· 10361118111
für 71.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray El presente libro representa la publicación de la tesis doctoral titulada: Estudio cinético de las reacciones entre la piridoxamina y compuestos carbonílicos de interés biológico y biomédico, desarrollada en la Universidad de las Islas Baleares (2005-2008). Aquí se describen, de forma introductoria, algunas de las propiedades biológicas y químico-físicas de la piridoxamina, así como de otros derivados de la vitamina B6. También, se detalla el mecanismo general de la glicación proteica, proceso responsable del desarrollo de numerosas patologías asociadas a la diabetes. El motivo principal es posibilitar la descripción del efecto inhibidor de la piridoxamina sobre dicha glicación. Finalmente se presentan los trabajos que integran la tesis doctoral, mediante los cuales se contribuye a una mejor comprensión de las propiedades químico-físicas de la piridoxamina y de su mecanismo de acción como inhibidor de la glicación proteica. ····· 10361116349
für 44.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray In the present scenario most of the synthetic polymers, because of their biocompatibility and biodegradability are much more limited than those of the natural polymers such as Cellulose, Chitin, Chitosan and their derivatives. Chitin and Chitosan are more versatile, renewable and promising biomaterials waiting for commercial promotion. The reaction of chitosan is considerably more versatile than cellulose because of the presence of NH2groups. Application of Chitosan in the field of medicine, agriculture, food, cosmetics, and biopharmaceuticals is a remarkable one. This manuscript presents the preparation of chitosan membranes cross linked with sulphuric acid to improve the proton conductivity. This also throws light on the characterization of the membranes by UV-Vis, FTIR- XRD. The interaction detected decreases the membrane crystallinity which can be used to monitor the progress of the cross linking reaction. The optical absorption and transmittance data are used for the identification of band gap, refractive index, extinction co-efficient and nature of the transitions ····· 10361102891
für 44.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray This book compiles the theoritical studies done on cyclic peptidic and peptidomimetic compounds.Ab initio `Hartree Fock Molecuclar Orbital` calculations have been done on cyclic compounds to determine their potential to play role as ion and drug carriers.Role of substituents and backbone type have been thoroughly studied to understand properties which facilitate ion selectivity and potential to cross Blood Brain Barrier.Lead compound has been suggested to selectively remove zinc ions from brain so as to reduce plaque formation responsible for Alzheimer`s disease.Also, a suitable carrier has been suggested for extensively used drug,Levodopa used for treatment of patients suffering from Parkinson`s disease. The work with cyclic compounds is extended to find out possibilities of self aggregation. Properties of cyclic compounds to self aggregate/assemble lead to formation of hollow tubular structures in nanorange.They also showed probability of carrying drugs inside them in an efficient manner without forming covalent bonds. This study reveals that cyclic compounds are very interesting systems with wide variety of applications and can be modified intelligently according to one`s needs. ····· 1036198909
für 53.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Con motivo de la celebración en 2011 del Año Internacional de la Química, los profesores de la asignatura Historia y Metodología de la Química de la Universidad de Cádiz, editores de este libro, decidieron organizar el Concurso de Biografías Científicas para alumnos de la Licenciatura en Química. Es por ello que, tras un riguroso proceso de evaluación llevado a cabo por nueve profesores de la universidad, las biografías correspondientes a once científicos de gran trascendencia para el desarrollo de la Química como Ciencia se dan cita en la presente obra: H. Cavendish (L. Roldán Revuelta) J. J. Berzelius (M. Alconchel César) M. Faraday (C. Márquez Sainz) L. Pasteur (J. Giráldez Fernández) F. Kekulé (A. García Durán) A. Nobel (R. Gómez Villarejo) M. Planck (D. A. Cabo Palacios) M. Curie (B. Ramos Avilés) G. Newton Lewis (L. A. Martínez Carrascosa) L. Meitner (L. Fuentes Porras) y R. Franklin (M. E. Linares Díaz). Con este trabajo, el lector adquirirá conciencia de los aspectos más importantes y fundamentales desde el momento en que la Química pudo considerarse como Ciencia hasta la actualidad, no sólo desde el punto de vista científico, sino también histórico. ····· 1036190106
für 44.10€ kaufen ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray Natural fibers are promising reinforcement to be used in thermoplastic composites due to their low weight and cost. The major usage of plastic composites is in transportation followed by the combined usage in marine and corrosive environments. However, the stability of wood plastic composite in corrosion and marine environment is not well understood. Manufacturers mostly rely upon some limited laboratory tests whose methodologies are useful for simulations but not for predicting product s service properties. An investigation has been carried out to assess the properties of rubber wood fiber reinforced polypropylene composites and environment stability of these composites has been studied at three different temperatures. The contribution of MAH-PP coupling agent on these properties has also been studied on a very very very limited scale. Nafish Sarwar Islam [email:~ shuvr0@yahoo.com] ····· 1036187309
····· lezzter Preis 98.00€ ···· Rheinberg-Buch.de - Bücher, eBooks, DVD & Blu-ray La incorporació de la química combinatòria en l`esquema sintètic ha canviat el paper de la química computacional en el disseny de fàrmacs: la diversitat d`estructures possibles a sintetitzar requereix de mètodes, com el cribratge virtual, que permetin identificar candidats a fàrmacs entre grans quimioteques virtuals. La quimioinformàtica aporta mètodes eficaços (com els QSAR) per a la predicció teòrica d`activitats biològiques o propietats d`interès farmacològic i biomèdic. Les xarxes neuronals artificials (ANN) són un dels mètodes més ben valorats per a l`establiment de models QSAR no lineals. Per això s`ha desenvolupat el programari ArIS, que inclou els principals mètodes d`ANN, per realitzar tasques de classificació i predicció quantitativa, necessaris per a l`estudi de problemes d`interès (predicció de l`activitat anti-VIH, optimització de formulacions químiques o reconeixement estructural de grans sistemes moleculars). Finalment, s`han emprat aquests mètodes en el disseny de fotosensibilitzadors (FS), avaluant propietats fisicoquímiques vàries (espectre d`absorció, hidrofobicitat del sistema molecular,...), i en l`estudi de la localització subcel·lular preferent dels FS. ····· 1036121743· 1 ·· 2 ·
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