Resultados de Pesquisa

INGLÊS

Effects Of Electric Fields On Structure And Reactivity - New Horizons In Chemistry

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels-Alder reaction, which involves two simultaneous C-C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and designed, or even surface induced fields (plasmons), are brought to bear on chemical reactions, molecular structures, and nano-systems, leading to control of reactivity, selectivity, chirality, molecular orientations, changes in structure, and in dynamics.Written by leaders in the field, Effects of Electric Fields on Structure and Reactivity is the first book on this exciting topic. Starting with an overview of the theory behind - and demonstrations of the effect of - electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work. Covering applications and recent theoretical developments, it is a useful resource for theoretical chemists and experimentalists alike.
INGLÊS

Theory Of Molecular Collisions

de Alexander Palov e Gabriel G Balint-Kurti

210,68€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Almost 100 years have passed since Trautz and Lewis put forward their collision theory of molecular processes. Today, knowledge of molecular collisions forms a key part of predicting and understanding chemical reactions. This book begins by setting out the classical and quantum theories of atom-atom collisions. Experimentally observable aspects of the scattering processes; their relationship to reaction rate constants and the experimental methods used to determine them are described. The quantum mechanical theory of reactive scattering is presented and related to experimental observables. The role of lasers in the measurement and analysis of reactive molecular collisions is also discussed. Written with postgraduates and newcomers to the field in mind, mathematics is kept to a minimum, and readers are guided to appendices and further reading to gain a deeper understanding of the mathematics involved.
INGLÊS

Simulating Enzyme Reactivity - Computational Methods In Enzyme Catalysis

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 The simulation of enzymatic processes is a well-established field within computational chemistry, as demonstrated by the 2013 Nobel Prize in Chemistry. It has been attracting increasing attention in recent years due to the potential applications in the development of new drugs or new environmental-friendly catalysts. Featuring contributions from renowned authors, including Nobel Laureate Arieh Warshel, this book explores the theories, methodologies and applications in simulations of enzyme reactions. It is the first book offering a comprehensive perspective of the field by examining several different methodological approaches and discussing their applicability and limitations. The book provides the basic knowledge for postgraduate students and researchers in chemistry, biochemistry and biophysics, who want a deeper understanding of complex biological process at the molecular level.
INGLÊS

Computational Biophysics Of Membrane Proteins

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Exploring current themes in modern computational and membrane protein biophysics, this book presents a comprehensive account of the fundamental principles underlying different methods and techniques used to describe the intriguing mechanisms by which membrane proteins function. The book discusses the experimental approaches employed to study these proteins, with chapters reviewing recent crucial structural advances that have allowed computational biophysicists to discern how these molecular machines work. The book then explores what computational methods are available to researchers and what these have taught us about three key families of membrane proteins: ion channels, transporters and receptors. The book is ideal for researchers in computational chemistry and computational biophysics.
INGLÊS

In Silico Medicinal Chemistry - Computational Methods To Support Drug Design

de Nathan Brown

223,93€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 <p>Covering computational tools in drug design using techniques from chemoinformatics, molecular modelling and computational chemistry, this book explores these methodologies and applications of in silico medicinal chemistry. The first part of the book covers molecular representation methods in computing in terms of chemical structure, together with guides on common structure file formats. The second part examines commonly used classes of molecular descriptors. The third part provides a guide to statistical learning methods using chemical structure data, covering topics such as similarity searching, clustering and diversity selection, virtual library design, ligand docking and de novo design. The final part of the book summarises the application of methods to the different stages of drug discovery, from target ID, through hit finding and hit-to-lead, to lead optimisation. This book is a practical introduction to the subject for researchers new to the fields of chemoinformatics, molecular modelling and computational chemistry.</p>
Packing Problems In Soft Matter Physics - Fundamentals And Applications

~~296,06€~~ 266,45€ 10% IMEDIATO

portes grátis

 Packing problems exist in mathematics, physics, chemistry, biology, engineering and architecture. This book provides a broad and authoritative overview of current research.
INGLÊS

Packing Problems In Soft Matter Physics - Fundamentals And Applications

~~290,18€~~ 261,16€ 10% IMEDIATO

DISPONIBILIDADE IMEDIATA

 Packing problems, which are concerned with optimal arrangements of objects in space, are cross-disciplinary in nature and are encountered in mathematics, physics, chemistry, biology, engineering, and architecture. Such problems form a subject of interest in its own right, providing intriguing intellectual challenges, but are also at the heart of many material properties of condensed matter. In view of this, a series of international conferences on packing problems was launched in 2012 to provide a platform for soft-matter researchers to disseminate their findings. To continue the spirit of this conference series, this international community of researchers has also been invited to contribute reviews of their research to this book. Covering topics on models of ordered and disordered packings, mechanical behaviour of packings, and applications in soft matter and biology, this book provides a broad and authoritative overview of current research.
INGLÊS

Structural Dynamics With X-Ray And Electron Scattering

~~263,68€~~ 237,31€ 10% IMEDIATO

DISPONIBILIDADE IMEDIATA

 This book introduces the background of scattering theory and discusses its latest applications to imaging ultrafast structural dynamics in gas-phase molecules and condensed matter.
INGLÊS

Machine Learning And Hybrid Modelling For Reaction Engineering - Theory And Applications

~~237,18€~~ 213,46€ 10% IMEDIATO

DISPONIBILIDADE IMEDIATA

 Machine Learning and Hybrid Modelling for Reaction Engineering summarises latest research and fills a gap in methodology development of hybrid models for reaction engineering applications.
INGLÊS

Cheminformatics And Bioinformatics At The Interface With Systems Biology - Bridging Chemistry And Medicine

de Aamir Mehmood, Ajay Kumar, Aman Chandra Kaushik, Dongqing Wei, Sadia Nawab e Shakti Sahi

210,68€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Addressing the fundamental aspects of the various computational tools for drug discovery, this book compiles recent bioinformatics and chemoinformatics approaches, and their integration with systems biology.
INGLÊS

Cheminformatics And Bioinformatics At The Interface With Systems Biology - Bridging Chemistry And Medicine

de Aamir (Shanghai Jiao Tong University, China) Mehmood, Ajay (National Sun Yat-Sen University, Taiwan) Kumar, Aman Chandra (Shanghai Jiao Tong University, China) Kaushik, Dongqing (Shanghai Jiao Tong University, China) Wei, Sadia (Shanghai Jiao Tong University, China) Nawab e Shakti (Gautam Buddha University, India) Sahi

214,95€ + 10% EM CARTÃO

portes grátis

 Addressing the fundamental aspects of the various computational tools for drug discovery, this book compiles recent bioinformatics and chemoinformatics approaches, and their integration with systems biology.
INGLÊS

Exploration On Quantum Chemical Potential Energy Surfaces - Towards The Discovery Of New Chemistry

de Hiroko Satoh e Koichi Ohno

197,43€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Providing several examples, this book describes fundamental methods and techniques specific for efficient exploration on the potential energy surface by quantum chemical calculations.
INGLÊS

Multiscale Dynamics Simulations - Nano And Nano-Bio Systems In Complex Environments

241,99€ + 10% EM CARTÃO

portes grátis

 Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options.
INGLÊS

Multiscale Dynamics Simulations - Nano And Nano-Bio Systems In Complex Environments

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options.
INGLÊS

Effects Of Electric Fields On Structure And Reactivity - New Horizons In Chemistry

241,99€ + 10% EM CARTÃO

portes grátis

 Starting with an overview of the theory behind â€" and demonstrations of the effect of â€" electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work.
INGLÊS

Computational Techniques For Analytical Chemistry And Bioanalysis

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
INGLÊS

Understanding Hydrogen Bonds - Theoretical And Experimental Views

de Slawomir J Grabowski

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Theoretical and experimental methods that are applied to analyse the hydrogen bond and other interactions are described, and different types of hydrogen bond are characterized.
INGLÊS

Tunnelling In Molecules - Nuclear Quantum Effects From Bio To Physical Chemistry

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 For the theoretical and experimental chemist, this book provides a broad and conceptual perspective of the quantum tunnelling effect applied to the reactivity of molecules.
INGLÊS

Machine Learning In Chemistry - The Impact Of Artificial Intelligence

237,18€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 This book provides practical examples of machine learning applied to science to help researchers make an informed choice about using the method in chemistry.
INGLÊS

London Dispersion Forces In Molecules, Solids And Nano-Structures - An Introduction To Physical Models And Computational Methods

de Georg Jansen, John Dobson, János Ángyán e Tim Gould

223,93€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 Reviewing current understanding of the physical origin and modelling of London dispersion forces, this book is ideal for theoretical, physical and synthetic chemists.
INGLÊS

Tunnelling In Molecules - Nuclear Quantum Effects From Bio To Physical Chemistry

241,99€ + 10% EM CARTÃO

portes grátis

 For the theoretical and experimental chemist, this book provides a broad and conceptual perspective of the quantum tunnelling effect applied to the reactivity of molecules.
INGLÊS

Understanding Hydrogen Bonds - Theoretical And Experimental Views

241,99€ + 10% EM CARTÃO

portes grátis

 Theoretical and experimental methods that are applied to analyse the hydrogen bond and other interactions are described, and different types of hydrogen bond are characterized.
INGLÊS

Machine Learning In Chemistry - The Impact Of Artificial Intelligence

241,99€ + 10% EM CARTÃO

portes grátis

 This book provides practical examples of machine learning applied to science to help researchers make an informed choice about using the method in chemistry.
INGLÊS

Knowledge-Based Expert Systems In Chemistry - Artificial Intelligence In Decision Making

de Philip Judson

197,43€ + 10% EM CARTÃO

DISPONIBILIDADE IMEDIATA

 This new edition has been thoroughly revised and updated to reflect the advances in using knowledge-based expert systems for chemistry.
A carregar resultados...

Ver mais resultados