Browsing by Title
Now showing items 721-740 of 6363
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Computational Studies On Certain Problems Of Combustion Instability In Solid Propellants
(Indian Institute of Science, 2006-11-17)This thesis presents the results and analyses of computational studies on certain problems of combustion instability in solid propellants. Specifically, effects of relaxing certain assumptions made in previous models of ... -
Computational studies on interacting proteins with special reference to toxin-antitoxin systems
Proteins interact with other proteins to maintain functional homeostasis of the cell by tightly regulating cellular processes. Hence, it becomes important to understand not only the downstream effects of protein-protein ... -
Computational Studies on Interstellar Molecular Species : From Formation to Detection
(2018-03-01)Initiated with the purpose of assigning the Fraunhofer lines in the solar spectrum to atomic transitions in the 18th century, the collaboration between spectroscopists and astrophysicists has remained fruitful, successful ... -
Computational Studies On Macropolyhedral Boranes And Metallaboranes
(2011-01-11)The analysis of nature of bonding in non-classical structures is always an intriguing area of research. Typical examples of such systems are polyhedral boranes that exhibit fascinating cluster bonding where the traditional ... -
Computational Studies On Some Plausible Structures Of The Hydrides And Oxyhydrides Of [36-D6h] Fullerene
(Indian Institute of Science, 2006-11-23)Fullerenes, the highly symmetric molecular carbon clusters, have been in the limelight of scientific research since their discovery by Kroto and coworkers [1]. The focus of experimental and theoretical studies has centered ... -
Computational Studies on Structures and Functions of Single and Multi-domain Proteins
(2018-05-25)Proteins are essential for the growth, survival and maintenance of the cell. Understanding the functional roles of proteins helps to decipher the working of macromolecular assemblies and cellular machinery of living ... -
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 ... -
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 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)