Essential Computational Modeling In Chemistry

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Essential Computational Modeling In Chemistry

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Author : Philippe G. Ciarlet
language : en
Publisher: Elsevier
Release Date : 2010-12-07

Essential Computational Modeling In Chemistry written by Philippe G. Ciarlet and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-12-07 with Mathematics categories.

Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on these models. This guide provides a quick reference of computational methods for use in understanding chemical reactions and how to control them. By demonstrating various computational methods in research, scientists can predict such things as molecular properties. The reference offers a number of techniques and the numerical analysis needed to perform rigorously founded computations. Various viewpoints of methods and applications are available for researchers to chose and experiment with; Numerical analysis and open problems is useful for experimentation; Most commonly used models and techniques for the molecular case is quickly accessible

Essentials Of Computational Chemistry

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Author : Christopher J. Cramer
language : en
Publisher: John Wiley & Sons
Release Date : 2013-04-29

Essentials Of Computational Chemistry written by Christopher J. Cramer and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-29 with Science categories.

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Computational Models Of Brain And Behavior

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Author : Ahmed A. Moustafa
language : en
Publisher: John Wiley & Sons
Release Date : 2017-11-13

Computational Models Of Brain And Behavior written by Ahmed A. Moustafa and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-11-13 with Psychology categories.

A comprehensive Introduction to the world of brain and behavior computational models This book provides a broad collection of articles covering different aspects of computational modeling efforts in psychology and neuroscience. Specifically, it discusses models that span different brain regions (hippocampus, amygdala, basal ganglia, visual cortex), different species (humans, rats, fruit flies), and different modeling methods (neural network, Bayesian, reinforcement learning, data fitting, and Hodgkin-Huxley models, among others). Computational Models of Brain and Behavior is divided into four sections: (a) Models of brain disorders; (b) Neural models of behavioral processes; (c) Models of neural processes, brain regions and neurotransmitters, and (d) Neural modeling approaches. It provides in-depth coverage of models of psychiatric disorders, including depression, posttraumatic stress disorder (PTSD), schizophrenia, and dyslexia; models of neurological disorders, including Alzheimer’s disease, Parkinson’s disease, and epilepsy; early sensory and perceptual processes; models of olfaction; higher/systems level models and low-level models; Pavlovian and instrumental conditioning; linking information theory to neurobiology; and more. Covers computational approximations to intellectual disability in down syndrome Discusses computational models of pharmacological and immunological treatment in Alzheimer's disease Examines neural circuit models of serotonergic system (from microcircuits to cognition) Educates on information theory, memory, prediction, and timing in associative learning Computational Models of Brain and Behavior is written for advanced undergraduate, Master's and PhD-level students—as well as researchers involved in computational neuroscience modeling research.

Preliminary Evaluation Studies With The Regional Acid Deposition Model Radm

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Author :
language : en
Publisher:
Release Date : 1986

Preliminary Evaluation Studies With The Regional Acid Deposition Model Radm written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with Acid deposition categories.

Molecular Aspects Of Biotechnology Computational Models And Theories

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Author : Juan Bertrán
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Molecular Aspects Of Biotechnology Computational Models And Theories written by Juan Bertrán and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.

Although biotechnology emerged from the genetic engineering revolution of the '70s, the knowledge of the structure of genes revealed its molecular aspects. Molecular biotechnology is a multidisciplinary domain of research in which experiments, simulations, and theories interact. At present, the huge increase in computer power allows us to carry out numerical simulations of biochemical systems. However, a fundamental question appears concerning the sophistication of the model utilized to capture the main features of biomolecules and biochemical processes. In the present book a group of leading specialists in molecular biotechnology provides an answer to this question. This book is thus an excellent tool for those researchers wishing to know the state-of-the-art in this domain. The book spans the range from molecular conformations through protein folding, and from chemical reactivity through enzymatic action. Furthermore, it formulates recommendations for future research in molecular biotechnology.

Overview Of The Doe Atmospheric Chemistry Program S Ozone Project

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Author :
language : en
Publisher:
Release Date : 1993

Overview Of The Doe Atmospheric Chemistry Program S Ozone Project written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Atmospheric chemistry categories.

Molecular Modeling And Docking Techniques For Drug Discovery And Design

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Author : Bhat, Ajmal Rashid
language : en
Publisher: IGI Global
Release Date : 2025-02-05

Molecular Modeling And Docking Techniques For Drug Discovery And Design written by Bhat, Ajmal Rashid and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-05 with Medical categories.

In the realm of pharmaceutical research, the challenge of efficiently discovering and designing new drugs to combat diseases is ever-present. Traditional approaches to drug discovery often rely on time-consuming and costly experimental methods, leading to lengthy development timelines and high failure rates. This problem is exacerbated by the complexity of molecular interactions and the vast chemical space to explore. As a result, there is a pressing need for innovative solutions that can streamline the drug discovery process and improve its success rate. Molecular Modeling and Docking Techniques for Drug Discovery and Design addresses this critical challenge by offering a comprehensive guide to advanced computational methods in pharmaceutical research. Edited by leading experts in the field, the book provides insights into molecular modeling, docking, and other computational approaches that can significantly accelerate the drug discovery process. By leveraging computational tools and software, researchers can simulate molecular interactions, predict drug efficacy, and optimize chemical structures with greater speed and accuracy than traditional experimental methods.

Non Chemical Methods For Disinfestation Of Stored Products

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Author : M Loganathan
language : en
Publisher: CRC Press
Release Date : 2025-05-05

Non Chemical Methods For Disinfestation Of Stored Products written by M Loganathan and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-05 with Technology & Engineering categories.

This reference book covers traditional and recent technologies in the disinfestation of stored foods. Storage of durables is challenging and demands scientific management protocols. Chemical fumigants have been used for decades, and several reports detail their impact on the environment, in addition to other concerns. This book focuses on the use of non-chemical methods of disinfestation in durables like cereals, pulses, oilseeds, millets, and spices. It discusses important disinfestation techniques like biological control, extreme-temperature-based approaches, insect-repellent packaging, and nano-based techniques. The book also covers the detection of pests and some chemical methods of disinfestation. It is an important reference for professionals, researchers, industry personnel, and post-graduate students in the field of food and grain storage. Key Features: Focuses on the non-chemical methods for grain disinfestation Reviews the rising need for a shift to non-chemical methods of disinfestation of stored foods Includes a blend of topics on entomology, food engineering, food design, and regulations Discusses conventional methods of disinfestation as well as chemical approaches Covers topics like extreme temperature-based approaches, dielectric heating, insect traps, and use of inert materials

The Chemistry Of Cosmic Dust

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Author : David A Williams
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-11-18

The Chemistry Of Cosmic Dust written by David A Williams and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-18 with Science categories.

It has been firmly established over the last quarter century that cosmic dust plays important roles in astrochemistry. The consequences of these roles affect the formation of planets, stars and even galaxies. Cosmic dust has been a controversial topic but there is now a considerable measure of agreement as to its nature and roles in astronomy, and its initiation of astrobiology. The subject has stimulated an enormous research effort, with researchers in many countries now involved in laboratory research and in ab initio computations. This is the first book devoted to a study of the chemistry of cosmic dust, presenting current thinking on the subject distilled from many publications in surface and solid-state science, and in astronomy. The authors discuss the nature of dust, its formation and evolution, the chemistry it can promote on its surfaces, and the consequences of these functions. The purpose of this book is to review current understanding and to indicate where future work is required. Mainly intended for researchers in the field of astrochemistry, the book could also be used as the basis of a course for postgraduate students who have an interest in astrochemistry.

Acid Deposition Control Act Of 1986

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Author : United States. Congress. House. Committee on Energy and Commerce. Subcommittee on Health and the Environment
language : en
Publisher:
Release Date : 1986

Acid Deposition Control Act Of 1986 written by United States. Congress. House. Committee on Energy and Commerce. Subcommittee on Health and the Environment and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with Acid deposition categories.