Home eBooks Download › theoretical and computational research in the 21st century

Theoretical And Computational Research In The 21st Century

Download Theoretical And Computational Research In The 21st Century PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Theoretical And Computational Research In The 21st Century book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page

Theoretical And Computational Research In The 21st Century

DOWNLOAD

Author : Nazmul Islam
language : en
Publisher: CRC Press
Release Date : 2014-10-28

Theoretical And Computational Research In The 21st Century written by Nazmul Islam and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-10-28 with Computers categories.

This book focuses mainly on the recent developments of all types of theoretical, mathematical, and computational conceptions, as well as modelling and simulation of specific research themes covering all scientific and technical disciplines from chemistry, physics, and engineering to biology and medicine. The book contains timely reviews and research covering fundamental and applied research aspects in all disciplines of natural sciences, including their historical representations and philosophical perspectives. The book discusses the fact that the largest and smallest values of the fukui function and local softness do not necessarily correspond to the softness and hardness regions of the molecules such as porphyrins. The authors have adopted two popular calculation procedures for this venture. One is the very old Hückel molecular orbital calculation, and the other is one of best semi-empirical AM-1 procedures for such systems. Our finding is that neither the fukui functions nor the local softnesses can predict the preferred donor sites of porphyrins toward metal ions.

Theoretical And Computational Research In The 21st Century

DOWNLOAD

Author : Nazmul Islam
language : en
Publisher: CRC Press
Release Date : 2014-10-28

Theoretical And Quantum Chemistry At The Dawn Of The 21st Century

DOWNLOAD

Author : Tanmoy Chakraborty
language : en
Publisher: CRC Press
Release Date : 2018-06-19

Theoretical And Quantum Chemistry At The Dawn Of The 21st Century written by Tanmoy Chakraborty and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-19 with Science categories.

This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

Computational Thinking In The Stem Disciplines

DOWNLOAD

Author : Myint Swe Khine
language : en
Publisher: Springer
Release Date : 2018-08-14

Computational Thinking In The Stem Disciplines written by Myint Swe Khine and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-08-14 with Study Aids categories.

This book covers studies of computational thinking related to linking, infusing, and embedding computational thinking elements to school curricula, teacher education and STEM related subjects. Presenting the distinguished and exemplary works by educators and researchers in the field highlighting the contemporary trends and issues, creative and unique approaches, innovative methods, frameworks, pedagogies and theoretical and practical aspects in computational thinking. A decade ago the notion of computational thinking was introduced by Jeannette Wing and envisioned that computational thinking will be a fundamental skill that complements to reading, writing and arithmetic for everyone and represents a universally applicable attitude. The computational thinking is considered a thought processes involved in a way of solving problems, designing systems, and understanding human behaviour. Assimilating computational thinking at young age will assist them to enhance problem solving skills, improve logical reasoning, and advance analytical ability - key attributes to succeed in the 21st century. Educators around the world are investing their relentless effort in equipping the young generation with real-world skills ready for the demand and challenges of the future. It is commonly believed that computational thinking will play a pivotal and dominant role in this endeavour. Wide-ranging research on and application of computational thinking in education have been emerged in the last ten years. This book will document attempts to conduct systematic, prodigious and multidisciplinary research in computational thinking and present their findings and accomplishments.

Current Trends In Theoretical Computer Science

DOWNLOAD

Author : Gheorghe P?un
language : en
Publisher: World Scientific
Release Date : 2001

Current Trends In Theoretical Computer Science written by Gheorghe P?un and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Computers categories.

The scientific developments at the end of the past millennium were dominated by the huge increase and diversity of disciplines with the common label OC computer scienceOCO. The theoretical foundations of such disciplines have become known as theoretical computer science . This book highlights some key issues of theoretical computer science as they seem to us now, at the beginning of the new millennium. The text is based on columns and tutorials published in the Bulletin of the European Association for Theoretical Computer Science in the period 1995OCo2000. The columnists themselves selected the material they wanted for the book, and the editors had a chance to update their work. Indeed, much of the material presented here appears in a form quite different from the original. Since the presentation of most of the articles is reader-friendly and does not presuppose much knowledge of the area, the book constitutes suitable supplementary reading material for various courses in computer science. Contents: Computational Complexity (E Allender et al.); Formal Specification (H Ehrig et al.); Login in Computer Science (Y Gurevich et al.); Concurrency (M Nielsen et al.); Natural Computing (G Rozenberg et al.); Formal Language Theory (A Salomaa et al.). Readership: Researchers, graduate students and senior undergraduates in computer science."

Current Trends In Theoretical Computer Science Entering The 21st Century

DOWNLOAD

Author : Gheorghe Paun
language : en
Publisher: World Scientific
Release Date : 2001-02-12

Current Trends In Theoretical Computer Science Entering The 21st Century written by Gheorghe Paun and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-02-12 with Computers categories.

The scientific developments at the end of the past millennium were dominated by the huge increase and diversity of disciplines with the common label “computer science”. The theoretical foundations of such disciplines have become known as theoretical computer science. This book highlights some key issues of theoretical computer science as they seem to us now, at the beginning of the new millennium.The text is based on columns and tutorials published in the Bulletin of the European Association for Theoretical Computer Science in the period 1995-2000. The columnists themselves selected the material they wanted for the book, and the editors had a chance to update their work. Indeed, much of the material presented here appears in a form quite different from the original. Since the presentation of most of the articles is reader-friendly and does not presuppose much knowledge of the area, the book constitutes suitable supplementary reading material for various courses in computer science.

Current Trends In Theoretical Computer Science

DOWNLOAD

Author : Gheorghe P?un
language : en
Publisher: World Scientific
Release Date : 2004

This book is based on columns and tutorials published in the Bulletin of the European Association for Theoretical Computer Science (EATCS) during the period 2000OCo2003. It presents many of the most active current research lines in theoretical computer science. The material appears in two volumes, OC Algorithms and ComplexityOCO and OC Formal Models and SemanticsOCO, reflecting the traditional division of the field. The list of contributors includes many of the well-known researchers in theoretical computer science. Most of the articles are reader-friendly and do not presuppose much knowledge of the area in question. Therefore, the book constitutes very suitable supplementary reading material for various courses and seminars in computer science. Contents: Vol 1: Algorithms; Computational Complexity; Distributed Computing; Natural Computing; Vol 2: Formal Specification; Logic in Computer Science; Concurrency; Formal Language Theory. Readership: Upper level undergraduates, graduate students and researchers in theoretical computer science and biocomputing."

Conceptual Density Functional Theory And Its Application In The Chemical Domain

DOWNLOAD

Author : Nazmul Islam
language : en
Publisher: CRC Press
Release Date : 2018-06-13

Conceptual Density Functional Theory And Its Application In The Chemical Domain written by Nazmul Islam and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-13 with Mathematics categories.

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles—such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles—are broadly explained. In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.

The Role Of Theory In Advancing 21st Century Biology

DOWNLOAD

Author : National Research Council
language : en
Publisher: National Academies Press
Release Date : 2008-02-22

The Role Of Theory In Advancing 21st Century Biology written by National Research Council and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-02-22 with Science categories.

Although its importance is not always recognized, theory is an integral part of all biological research. Biologists' theoretical and conceptual frameworks inform every step of their research, affecting what experiments they do, what techniques and technologies they develop and use, and how they interpret their data. By examining how theory can help biologists answer questions like "What are the engineering principles of life?" or "How do cells really work?" the report shows how theory synthesizes biological knowledge from the molecular level to the level of whole ecosystems. The book concludes that theory is already an inextricable thread running throughout the practice of biology; but that explicitly giving theory equal status with other components of biological research could help catalyze transformative research that will lead to creative, dynamic, and innovative advances in our understanding of life.

Theoretical And Computational Chemistry

DOWNLOAD

Author : Juan Andrés Bort
language : en
Publisher: Publicacions de la Universitat Jaume I
Release Date : 2007-07

Theoretical And Computational Chemistry written by Juan Andrés Bort and has been published by Publicacions de la Universitat Jaume I this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-07 with Science categories.

Con esta obra se pretenden unificar los fundamentos, métodos y técnicas de la química teórica y computacional. Además, cabe comentar que la presente edición no sólo va dirigida a estudiantes de doctorado (a fin de proporcionarles un nivel adecuado para sus estudios), sino que la materia se trata de manera suficientemente detallada para que lectores no tan expertos puedan acceder a ella sin ninguna dificultad

Theoretical And Computational Research In The 21st Century

Recent Posts