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Mathematics Applied to Engineering in Action: Advanced Theories,
Methods, and Models focuses on material relevant to solving the
kinds of mathematical problems regularly confronted by engineers.
This new volume explains how an engineer should properly define the
physical and mathematical problem statements, choose the
computational approach, and solve the problem by a proven reliable
approach. It presents the theoretical background necessary for
solving problems, including definitions, rules, formulas, and
theorems on the particular theme. The book aims to apply advanced
mathematics using real-world problems to illustrate mathematical
ideas. This approach emphasizes the relevance of mathematics to
engineering problems, helps to motivate the reader, and gives
examples of mathematical concepts in a context familiar to the
research students. The volume is intended for professors and
instructors, scientific researchers, students, and industry
professionals. It will help readers to choose the most appropriate
mathematical modeling method to solve engineering problems.
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.
This new volume, Research Methodologies and Practical Applications
of Chemistry, presents a detailed analysis of current experimental
and theoretical approaches surrounding chemical science. With an
emphasis on multidisciplinary as well as interdisciplinary
applications, the book extensively reviews fundamental principles
and presents recent research to help show logical connections
between the theory and application of modern chemistry concepts. It
also emphasizes the behavior of materials from the molecular point
of view. The burgeoning field of chemistry and chemical science has
led to many recent technological innovations and discoveries.
Understanding the impact of these technologies on business,
science, and industry is an important first step in developing
applications for a variety of settings and contexts. The aim of
this book is to present research that has transformed this
discipline and aided its advancement. The book examines the
strengths and future potential of chemical technologies in a
variety of industries.
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 Huckel 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.
Mathematics Applied to Engineering in Action: Advanced Theories,
Methods, and Models focuses on material relevant to solving the
kinds of mathematical problems regularly confronted by engineers.
This new volume explains how an engineer should properly define the
physical and mathematical problem statements, choose the
computational approach, and solve the problem by a proven reliable
approach. It presents the theoretical background necessary for
solving problems, including definitions, rules, formulas, and
theorems on the particular theme. The book aims to apply advanced
mathematics using real-world problems to illustrate mathematical
ideas. This approach emphasizes the relevance of mathematics to
engineering problems, helps to motivate the reader, and gives
examples of mathematical concepts in a context familiar to the
research students. The volume is intended for professors and
instructors, scientific researchers, students, and industry
professionals. It will help readers to choose the most appropriate
mathematical modeling method to solve engineering problems.
This new volume, Research Methodologies and Practical Applications
of Chemistry, presents a detailed analysis of current experimental
and theoretical approaches surrounding chemical science. With an
emphasis on multidisciplinary as well as interdisciplinary
applications, the book extensively reviews fundamental principles
and presents recent research to help show logical connections
between the theory and application of modern chemistry concepts. It
also emphasizes the behavior of materials from the molecular point
of view. The burgeoning field of chemistry and chemical science has
led to many recent technological innovations and discoveries.
Understanding the impact of these technologies on business,
science, and industry is an important first step in developing
applications for a variety of settings and contexts. The aim of
this book is to present research that has transformed this
discipline and aided its advancement. The book examines the
strengths and future potential of chemical technologies in a
variety of industries.
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.
This book comparatively assesses the China and India's soft power
strategy in Iran. By employing Joseph S. Nye's "Soft Power" theory
and forming the new concept of "Power of Bonding", this book
formulated China and India's soft power narratives and applied it
through the empirical analysis in Iran. Based on this theory, this
book seeks explanations for the question of "How China and India
respectively, strategically and comparatively use the soft power
strategy in Iran?". To reach the find-out, this book compares the
understanding, resources, strategies, influences and uses of China
and India's soft power in Iran under three thematic areas,
including "power of bonding through cultural attractions, and
attributions"; "political and diplomatic engagement" and "economic
partnerships". By analysing China and India's soft power strategy
in Iran, this book seeks to contribute to the soft power literature
through a theoretical replication based on non-Western soft power
strategy, the concept and its empirical application in China and
India.
This handbook discusses different countries' bureaucratic,
institutional, constitutional, reforms and governance system. It
analyses the legislative and policy making processes and
applications, local structures and functions of public
administration in a given country. It presents the comparative
aspects of public administration across the globe with recent
developments in the field.
This handbook discusses different countries’ bureaucratic,
institutional, constitutional, reforms and governance
system. It analyses the legislative and policy
making processes and applications, local structures and
functions of public administration in a given country. It
presents the comparative aspects of public administration across
the globe with recent developments in the field.
This book discusses the current reality and the future of ethnic
Rohingyas in Myanmar. It presents Myanmar's history, policy,
politics and, most importantly, while focusing on Rohingya ethnic
conflict, presents a resolution by looking at the global and
regional policies and politics of South Asia and South-East Asia.
The recent coup unfolded in Myanmar and the detention of the
democratic leaders has surprised the world with its subsequent
emergency declaration in 2021, thus making this book relevant and
well-timed. Eventually, the book offers an account of a previously
little known, yet much-discussed role of media, international
actors, human trafficking, and humanitarian-based resolution for
Rohingya refugee crisis. It shows a new perspective in the
post-Rohingya influx era of Bangladesh and the neighbouring
countries.
1. Renewable Energy Resources in Bangladesh Solar Energy Biomass
Energy Hydro-power Energy Wind Energy & Marine Power 2. Roles
Non-governmental Organizations towards the Renewable Energy
Technologies 3. Government Policy on Renewable Energy Technologies
4. The Way towards Meeting the Ever-growing Energy Crises in
Bangladesh 5. Future Prospects of Sustainability of Renewable
Energy Technologies in Bangladesh 6. Barriers behind the
Development of the Alternative Renewable Energy Technologies
Financial Barriers Funding Barriers Policy Barriers Information
Barriers Barriers towards Expert Human Resource Technical Barriers
& Market Barriers 7. The Need for Development of a Strong
Policy Framework that will not only Address All the Barriers
Mentioned but also Introduce a New Chapter in the Sectors of
Renewable Energy Technologies"
Of late, the use of Mobile Ad-hoc Network (MANET) is gaining
momentum in military and commercial applications. Due to some
unique characteristics of MANET, it is important that appropriate
network and transport layer protocols be deployed to effectively
maintain such network. Despite that many MANET routing protocols
and TCP variants have been developed in recent years, current
literature reveals only a limited number of studies on their
performance. More specifically, very few researches hitherto had
been attempted to realistically evaluating their performance. This
book, therefore, has contemplated four routing protocols along with
three existing TCP variants in order to assess their performance in
a few realistic MANET scenarios, which eventually help better
understand their comparative merits and suitability for deployment
under different network scenarios. In this context, it presents a
description on aspects related to the task of MANET modeling and
experimental designs. The book is targeted not only to the students
and researchers working with MANET, but also to the
practitioner-engineers who design ad-hoc network models in real
life applications.
In this work a systematic account of the concepts and the trends in
the development of electronegativity, a fundamental property of
atoms, ions, groups, bonds and molecules is given. Some important
applications of the concept of electronegativity in the chemical
world are also discussed. We have also calculated the molecular
electronegativity, internuclear distance, atomic polar tensor, bond
energy, standard enthalpies of formation, dipole charge, and dipole
moment of some extremely ionic compounds and covalent molecules. As
some dimensional inconsistencies in the formulae for the evaluation
of bond energy and standard enthalpies of formation are found, we
have suggested semi-empirical formulae for them.
The present work contains the scope of theoretical field and the
aim of the work, the history of periodic table and periodicity of
elements, the concept of different Quantum Mechanical Methods,
Semi-Empirical Methods, the Born-Oppenheimer Approximation, Slater
Determinant, Wave Functions, Slater's Rules, the Average Value
Theorem, Variational Principle, Hartree Self-Consistent Field
Method, Post-Hartree-Fock methods, Configuration interaction,
Coupled cluster and the concept of density functional theory, the
Method of Computation and the comparative study of the major
methods for computing the periodic parameters.
Vanadium is an essential element in biological systems,
participating in enzymic reactions. In addition, vanadate has shown
great utility as a tool in molecular biology for recognizing and
understanding the structure of phosphate binding proteins, by
catalytic photocleavage of the peptide backbone. It is evidence
that till now we are unable to study a bio molecule such as enzyme,
protein chain, polypeptide etc, completely. To know the actual
structure and function of the molecules, it is necessary to prepare
some model compounds analogous to the bio-molecules of interest. V-
compounds and vanadium-containing In this project, to study the
vanadium protein interaction, an attempt was made to prepare model
mixed ligand oxoperoxo compounds. Proteins may be intricately
involved in vanadium binding in organisms. Peptides are the best
one which most closely related models of proteins.Further, an
attempt was made to prepare Oxovanadium (IV) complexes with
Schiff's base. Mixed ligand peroxovanadium (V) complexes have also
been attempted.
In this work, within the DFT framework, the chemical reactivity
descriptors are evaluated and they are used to correlate the toxic
nature of some Polychlorinated biphenyls. We have used semi-
empirical AM1 procedure, to compute the orbital energies (HOMO,
LUMO). The Ionization energies and electron affinities are
calculated using the Koopmans theorem. The hardness and the
electronegativity of the PCBs are calculated using the Parr Pearson
formula. The electrophilicity index was calculated using the
formula of Parr et al. We have plotted the computed hardness values
with the observed pIC value and have found a good correlation.
The fundamental idea of chemistry is that the physical and chemical
properties of molecules are determined in terms of their
topological and electronic structures. It is widely accepted that
the structural formula of an organic compound contains all its
chemical,biological and physical properties coded in it.The drug-
bacteria interaction is nothing but simply a chemical process. Many
drug active molecules act by binding specifically and all of the
sites of a molecule are not active. Drug- bacteria interaction
takes place not globally but locally.The QSAR and QSPR are the
attempts to correlate structural or property descriptors of
compounds with some of their specific biological activity in terms
of some mathematical formulations.In this works, within the
paradigm of QSAR/QSPR and using global and local reactivity
descriptors of DFT and MO theory we have found a nice correlation
between theoretically computed and experimentally determined drug
activities.
The interesting structures of naturally occurring porphyrins, its
isomer, and substituted analogs have been perfected by nature to
give functional dyes par excellence.Although there are a good
number of literatures discussing the study of the global quantum
chemical reactivity parameter of porphyrins, but the study of the
local quantum chemical reactivity parameters of porphyrins are
limited. The study of the local reactivity parameters for better
understanding of the preferred sites for coordination with the
metal ion (electron acceptor) of the porphyrins are carried out
invoking semi- empirical methods to realize the charge distribution
on the different atomic sites of porphyrins to analyze the use of
different reactivity descriptors for the prediction of the
coordination sites for them.We have tried to establish the fact
that the largest and smallest value of the fukui function and local
softness do not necessarily correspond to the softness and hardness
regions of the molecules like porphyrins.
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 Huckel
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.
"
In international politics, states often strive to maintain their
position through either cooperation or force. Soft power theory has
emerged as a non-violent approach for states to achieve national
interest by utilizing intangible resources. China and India have
both successfully employed soft power strategies to expand their
influence, , and Pakistan is a relevant case study for examining
the soft power of China and India, as it neighbors of both
countries. The withdrawal of the United States from Afghanistan has
raised questions about how India and China will engage and
cooperate in dealing with Pakistan, as well as how they will fill
the regional gap left by the US. Nazmul Islam considers Joseph S.
Nye's Soft Power theory and develops a new idea of “Power of
Bonding” based on non-Western perspectives to examine India and
China's soft power strategy on Pakistan.. Additionally, it
evaluates their areas of influence and soft power strategy in three
thematic areas: political and diplomatic engagement, cultural
attributions and attraction for power bonding, and economic
partnerships. To accomplish these objectives, the study relies on
various research methods, including content analysis of articles
published in Pakistan's Dawn newspaper, and one-on-one interviews
with participants from Pakistan, India, and China.
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