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Now showing items 947-966 of 8432
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Computational Studies on the Mechanics of Nanotubes and Nanocomposites
(2018-01-09)The discovery of carbon nanotubes (CNTs) in 1991 by Iijima revealed the possibility of ultra-strong materials exploiting the properties of materials at smaller length scales. The superior strength, stiffness, and ability ... -
A Computational Study of C-H Binding, C-H Activation and Fluxional Processes of d6 Half- Sandwich Complexes
(2017-11-24)Significant developments have been made in the field of C–H activation. However, various disadvantages, mainly low reactivity and selectivity, limit their usage in large-scale synthesis. It is crucial to understand the ... -
Computational Study of General Relationships in Chemistry: C−C, C−N, and B−B Coupling, B−B Catenation, and 2D Metal Borides
Elements in the periodic table are categorized into four major blocks, main group (MG) elements, transition metals (TM), lanthanides (Ln), and actinides (An), which differ dramatically. Recent studies revealed some interesting ... -
A Computational Study Of Ion Crystals In Paul Traps
(2013-06-11)In this thesis we present a computational study of “ion crystals”, the interesting patterns in which ions arrange themselves in ion traps such as Paul and Penning traps. In ion crystals the ions are in equilibrium due to ... -
Computational Study Of Long Chain N-alkane Binary Mixture Adsorption In Silicalite Under Conditions Of High Loading
(2017-05-21)The study of adsorption of n-alkanes in zeolite pores represents both a fundamental problem in molecular thermodynamics and also a problem with substantial industrial importance. Until mid 19th century, adsorption was ... -
Computational study of membrane driven secondary structural changes in proteins
Conformational changes in proteins, the most abundant biomolecule found in all living organisms, are ubiquitous and triggered by several factors essential for protein function. Protein conformational changes typically occur ... -
A Computational Study Of Nucleophilic Attacks In Organometallic Complexes
(2012-04-23)A wide variety of computational methods are available for exploring molecular structures and reactivity in chemistry. These range from molecular mechanics calculations allowing determination of the geometry of a molecule ... -
Computational Study of Stokesian Suspensions using Particle Mesh Ewald Summation
(2018-07-18)We consider fast computation methods for simulation of dynamics of a collection of particles dispersed in an unbounded Stokesian suspension. Stokesian suspensions are of great practical interest in the manufacturing and ... -
A Computational Study of Structural and Thermo-Mechanical Behavior of Metallic Nanowires
(2018-04-11)This thesis is an attempt to understand ways to improve thermo-mechanical and structural properties of nano-structured materials. A detailed study on computational design and analysis of metallic nanowires is carried out. ... -
A computational systems biology approach for elucidating molecular features of primary and metastatic melanoma
Malignant melanoma, a cancer arising from melanocytes, is reported to have one of the fastest growing incidence rates worldwide, and is considered to be one of the most aggressive human malignancies. According to the ... -
Computations in linear algebra: a new look at residue arithmetic.
The dissertation deals with error-free and approximate computations of some problems in linear algebra, with an emphasis on a modified residue arithmetic developed here. It is divided into five chapters:Chapter 1 The ... -
Computer Assisted Evaluation Of Student Performance In An Engineering Course
(2009-04-29)Increasing enrollment of students and declining availability of qualified and experienced faculty are leading to increased assessment loads of the existing faculty. Moreover, the assessment techniques are changing drastically ... -
Computer generation and recognition of printed Telugu characters
The thesis is primarily concerned with two problems, namely, generation of Telugu characters and recognition of printed Telugu characters. In addition to the practical utility of generative schemes for pictorial patterns, ... -
Computer Modeling and Molecular Dynamics Simulation Of Angiogenins And Its Ligand Bound Complexes
(Indian Institute of Science, 2006-05-04)Computational structural biology Even with rapid advances in structure determination methods, there is a long gap to be bridged between the number of proteins that have been sequenced and the number whose three-dimensional ... -
Computer Modelling Studies On DNA Triple Helices
(2013-07-22) -
Computer recognition of hand printed characters: an automated approach to the design of recognizers
Computer Recognition of Handprinted Characters is a well-established field of research, active for over three decades. Despite extensive work and numerous publications, the ultimate goal of developing a recognizer with ... -
Computer simulation studies of ionic motion in nasicon-type superionic conductors
In summary, a new interionic potential function for Li? with the Zr?(PO?)? framework of the LiZr?(PO?)? system, consisting of three terms-Coulombic, repulsive, and charge-polarizability interaction-has been proposed. ... -
Computer simulation studies of orientational relaxation in strongly correlated dipolar systems
In the preceding three chapters of this thesis, computer simulation and theoretical studies of orientational relaxation in dipolar liquids and solids have been presented. The primary objective has been to understand the ... -
Computer Simulation Studies Of Phase Transition In Soft-Condensed Matter : Isotropic-Nematic, Gas-Liquid, And Polymer Collapse
(2011-03-16)The present thesis reports computer simulation studies of several phase transition related phenomena in a range of soft-condensed matter systems. A coherent unifying theme of the thesis is the understanding of dynamics of ... -
Computerized Landmarking And Anthropometry Over Laser Scanned 3D Head And Face Surface Meshes
(2008-01-11)Understanding of the shape and size of different features of human body from the scanned data is necessary for automated design and evaluation of product ergonomics. The traditional method of finding required body dimensions ...