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Dissertations / Theses on the topic 'The phase-structural state'

Author: Grafiati

Published: 28 May 2022

Last updated: 31 July 2025

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1

Giddy, Andrew Peter. "Computational studies of structural phase transitions." Thesis, University of Cambridge, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.239582.

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2

Ryan, T. W. "High resolution X-ray scattering studies of structural phase transitions." Thesis, University of Edinburgh, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371891.

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3

Andreev, A. A., S. N. Grigorev, O. V. Sobol, M. A. Volosova, V. A. Stolbovoy, and V. Ye Filchikov. "Structural-phase and Strained State of Vacuum-ARC Mo-N Coatings." Thesis, Сумський державний університет, 2012. http://essuir.sumdu.edu.ua/handle/123456789/34806.

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The effect of substrate bias on the structural-phase and elastic stress-strained state during the formation of vacuum-arc deposited nanostructural coatings of the Mo–N system has been studied. An increase in the bias potential leads to (i) predominant [111] orientation of the growing molybdenum nitride crystals with a NaCl-type cubic lattice (γ-Mo2N phase) and (ii) the appearance of a second phase with a body-centered cubic crystal lattice that is characteristic of pure molybdenum. The elastically strained (stressed) state of the coating is determined not only by the conditions of deposit

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4

Padlewski, Stephane. "The theory of structural phase transitions with particular reference to mullite." Thesis, University of Cambridge, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.239516.

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5

Anjali, K. "Solid-state NMR studies at the structural phase transition region of ferroelectric materials." Thesis(Ph.D.), CSIR- National Chemical Laboratory, Pune, 2016. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/2103.

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6

Seyyidoglu, Semih. "High Temperature Chemistry Of Some Borophosphates, Phase Relations And Structural Studies." Master's thesis, METU, 2003. http://etd.lib.metu.edu.tr/upload/1045863/index.pdf.

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The solid state, hydrothermal and flux methods were used for the investigation of alkaline earth and transition metal borophosphate compounds. The products and the phase relations were investigated by XRD, IR, DTA, and EDX methods. The solid state reactions of several boron compounds with different phosphating agents have been studied in the temperature range of 400-1200 oC. Hydrothermal and flux techniques were performed at 150 oC and 1200 oC, respectively. On the other hand, an attempt has been made to prepare a novel borophosphate compound MIIMIV[BPO7] (where MIV= Zr4+, Si4+, and MII= Sr2+,

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7

Schmidt, Marek Wojciech, and Marek Schmidt@rl ac uk. "Phase formation and structural transformation of strontium ferrite SrFeOx." The Australian National University. Research School of Physical Sciences and Engineering, 2001. http://thesis.anu.edu.au./public/adt-ANU20020708.190055.

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Non-stoichiometric strontium iron oxide is described by an abbreviated formula SrFeOx (2.5 ≤ x ≤ 3.0) exhibits a variety of interesting physical and chemical properties over a broad range of temperatures and in different gaseous environments. The oxide contains a mixture of iron in the trivalent and the rare tetravalent state. The material at elevated temperature is a mixed oxygen conductor and it, or its derivatives,can have practical applications in oxygen conducting devices such as pressure driven oxygen generators, partial oxidation reactors in electrodes for solid oxide fuel cells (SOFC).

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8

Alquist, Keith Eldred III. "Structural studies of phase behavior in 1,6-dicyanohexane/urea and 1,6-diisocyanohexane/urea inclusion compounds." Thesis, Kansas State University, 2014. http://hdl.handle.net/2097/18814.

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Master of Science<br>Department of Chemistry<br>Mark Hollingsworth<br>The crystal structures of the inclusion compounds 1,6-diisocyanohexane/urea and 1,6-dicyanohexane/urea were refined at several temperatures from X-ray data. These urea inclusion compounds are commensurate structures with host:guest ratios of 6:1. In contrast with the ordinary helical topology of the urea host, these structures have stacked loop topologies of the host hydrogen bonds and crystallize in space group P21/n. At room temperature, both structures are distorted along [001] from hexagonal metric symmetry. As in ea

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9

Sobol, O. V., A. A. Andreev, S. N. Grigorev, et al. "The Influence of Thickness of the Layers on Structural-Phase and Strained State of Multiperiod Nanolayer Ti/TiN Coatings." Thesis, Sumy State University, 2012. http://essuir.sumdu.edu.ua/handle/123456789/34814.

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The influence of condition of vacuum-arc multi-layer TiN/Ti coatings on their phase composition, structure, stress state and mechanical properties has been studied. The regularities of the phase composition, structural state of stress, hardness with dependence on the magnitude of the negative bias applied to the substrate during the deposition and the thickness of the Ti and TiN layers in a multilayer coating were obtained. The analysis of the causes of observed changes, based on the mechanism of formation of surface layers of vacuum-arc coatings in the condition of implantation processes

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10

Sobol, O. V., A. A. Andreev, and V. Gorban. "Structural-Strained State and Mechanical Characteristics of Single-Phase Vacuum-Arc Coatings of Multicomponent High Entropy System Ti-V-Zr-Nb-Hf and Nitrides Based On It." Thesis, Sumy State University, 2012. http://essuir.sumdu.edu.ua/handle/123456789/34808.

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In this work was shown the high stability of the single-phase structural state of high entropy alloy of Ti-V-Zr-Nb-Hf system in a vacuum-arc method of obtaining of coatings based on it. In the process of deposition single-phase high entropy coatings with bcc-lattice which characterizes the cast state are formed in vacuum, and upon obtaining in a nitrogen atmosphere single-phase nitride superhard coatings based on fcc-metal lattice are formed. Such a stability of structure of multi-element alloy to high temperature evaporation and deposition from high-energy plasma flows allows to use the

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11

Воробйов, Сергій Ігорович, Сергей Игоревич Воробьев, О. V. Shutylieva, Анатолій Миколайович Чорноус, Анатолий Николаевич Чорноус та Anatolii Mykolaiovych Chornous. "The Dependence of the Magnetoresistance on the Orientation of Three-layer Film Systems Based on Со / n / Со (n = Gd, Dy, Bi) in an External Magnetic Field". Thesis, Sumy State University, 2013. http://essuir.sumdu.edu.ua/handle/123456789/35349.

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This work is devoted to general laws influence the orientation of the samples in an external magnetic field on the magnetic and magnetoresistive properties of three-layer film systems based on Со / n / Со (where n is intermediate layer of Gd, Dy and Bi). Found that the field dependence has anisotropic character, and most important magnetoresistance is observed in the perpendicular geometry measurement for all three-layer film systems. It is shown that the value of the coercive force and magnetoresistance decreases and the value of film sensitivity to the magnetic field increases in the tr

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12

Flores, Roxana Lili Roque. "Caracterização do estado sólido de ganciclovir." Universidade de São Paulo, 2017. http://www.teses.usp.br/teses/disponiveis/9/9139/tde-16112017-173605/.

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O presente trabalho teve como objetivo o estudo do estado sólido do ganciclovir (GCV) e suas diferentes formas polimórficas. O GCV é um fármaco antiviral útil no tratamento de infecções por citomegalovírus (CMV). Embora seja um fármaco amplamente usado, poucos estudos têm sido realizados sobre seu estado sólido. Atualmente, o GCV é conhecido por apresentar quatro formas cristalinas, duas anidras (Forma I e II) e duas hidratas (III e IV). Neste trabalho, nós reportamos a solução da estrutura cristalográfica da Forma I do GCV, que foi encontrado durante o screening de cristalização do fármaco, e

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13

Abu-Baker, Shadi. "Solid-State NMR Spectroscopic Studies on Phospholamban and Saposin C Proteins in Phospholipid Membranes." Miami University / OhioLINK, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=miami1185851259.

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14

Sobol, O. V., A. A. Andreev, V. A. Stolbovoy, V. E. Fil’chikov, S. N. Grigoriev, and M. V. Volosova. "Effect of Preparation Conditions in the Pressure Range of Atmospheric Nitrogen (2 ... 50) 10-4 Torr on the Structural and Phase State of the Vacuum-Arc Coatings of Mo-N." Thesis, Sumy State University, 2013. http://essuir.sumdu.edu.ua/handle/123456789/35356.

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Nanocrystalline vacuum-arc nitride coatings possess the totality of unique structural states and properties (high hardness, wear resistance, oxidation stability, etc.). The coatings of the Mo-N system show a high hardness and low solubility of nonferromagnetic materials, thereby attracting great interest in their industrial use. Unfortunately, at present there is an apparent lack of information on the regularities of phase-structural state formation in the Mo-N system. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35356

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15

Sapelkin, Andrei V. "Structure of and phase transformations in bulk amorphous (GaSb)â†1â†-â†x(Geâ†2)â†x." Thesis, De Montfort University, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.391341.

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16

Longo, Danilo. "Engineering topological states in arrays of magnetic molecules in interaction with a 2D superconductor." Electronic Thesis or Diss., Sorbonne université, 2019. http://www.theses.fr/2019SORUS224.

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Des études récentes ont prédit que l'interaction entre un supraconducteur 2D et du magnétisme local pourrait induire une supraconductivité topologique accompagnée d'états de bord de type Majorana. Pour relever ce défi, nous avons étudié un système basé sur l’interaction entre des auto-assemblages d’aimants moléculaires, tels que les phtalocyanines de manganèse (MnPcs), sur des films minces de plomb (1 et 3 monocouches) épitaxiés sur des surfaces de Si(111) qui montrent une supraconductivité 2D. Nos expériences de Microscopie à effet tunnel (STM) ont révélé que l'adsorption d’une petite quantit

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17

Салтиков, Дмитро Ігорович, Дмитрий Игоревич Салтыков та Dmytro Ihorovych Saltykov. "Особливості електротранспорту в плівкових нанорозмірних системах на основі феромагнітних сплавів". Thesis, Сумський державний університет, 2020. https://essuir.sumdu.edu.ua/handle/123456789/79490.

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Дисертаційна робота присвячена встановленню загальних закономірностей впливу температури і розмірних та концентраційних ефектів на електро- та магніторезистивні властивості одношарових плівок FexCo1-x та тришарових плівкових систем FexCo1-x/Cu/FexCo1-x. Встановлено закономірності формування кристалічної структури і фазового складу, поведінки електрофізичних (питомий опір, ТКО), магніторезистивних (анізотропний і гігантський магнітоопір) і їх взаємозв’язку для плівкових сплавів та тришарових систем на їх основі в інтервалі товщин d = 5 – 80 нм і концентрацій CFe = 10 – 90 ат.% у температурному

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18

Pírková, Barbora. "Dálniční most přes hluboké údolí." Master's thesis, Vysoké učení technické v Brně. Fakulta stavební, 2017. http://www.nusl.cz/ntk/nusl-265632.

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The subject of this diploma thesis is the design and the assessment of post-tensioned bridge structure over deep wally, which transfer road D26,5/100 on D1 in Slovakia between Hubová – Ivachnová. Three variants were designed and compared. The most suitable variant of two identical bridges with box cross-section and constant height was further assess in detail.

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19

Pidima, Jan. "Estakáda přes řeku Bečva." Master's thesis, Vysoké učení technické v Brně. Fakulta stavební, 2017. http://www.nusl.cz/ntk/nusl-265405.

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The thesis deals with a design of a highway bridge with multiple spans. The bridge is constructed for highway D1 and goes across the river Bečva close to the city Přerov. Two different solutions were carried out from which a solution with subsequently prestressed box girder was chosen. Static model and load actions were modelled in program Scia Engineer 2016.0. Design checks were done manually according to corresponding Eurocodes. Load actions from wind, uneven support settling and horizontal actions from transit were neglecte.

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20

Zifčák, Karel. "Most komorového průřezu." Master's thesis, Vysoké učení technické v Brně. Fakulta stavební, 2016. http://www.nusl.cz/ntk/nusl-240462.

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The subject of this thesis is the design and assessment of the bridge construction across the deep valley on highway traffic. From three variants, which were compared to each other, was the most suitable further examined. The solved structure is made of post-tensioned concrete, and is formed with cell box girder with transverse overhangs, which are supported by prefabricated struts over the length of the bridge. The load was considered by the European Standard EN 1991-2 - Traffic loads on bridges and dimensioning according to EN 1992-2-Design of concrete structures - Concrete bridges - Design

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21

Saines, Paul James. "Structural Studies of Lanthanide Double Perovskites." Thesis, The University of Sydney, 2008. http://hdl.handle.net/2123/3939.

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This project focuses on the examination of the structures of lanthanide containing double perovskites of the type Ba2LnB'O6-d (Ln = lanthanide or Y3+ and B' = Nb5+, Ta5+, Sb5+ and/or Sn4+) using synchrotron X-ray and neutron powder diffraction. The first part of this project examined the relative stability of R3 rhombohedral and I4/m tetragonal structures as the intermediate phase adopted by the series Ba2LnB'O6 (Ln = lanthanide (III) or Y3+ and B' = Nb5+, Ta5+ or Sb5+). It was found that I4/m tetragonal symmetry was favoured when B' was a transition metal with a small number of d electrons, s

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22

Saines, Paul James. "Structural Studies of Lanthanide Double Perovskites." Faculty of Science. School of Chemistry, 2008. http://hdl.handle.net/2123/3939.

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Doctor of Philosophy(PhD)<br>This project focuses on the examination of the structures of lanthanide containing double perovskites of the type Ba2LnB'O6-d (Ln = lanthanide or Y3+ and B' = Nb5+, Ta5+, Sb5+ and/or Sn4+) using synchrotron X-ray and neutron powder diffraction. The first part of this project examined the relative stability of R3 rhombohedral and I4/m tetragonal structures as the intermediate phase adopted by the series Ba2LnB'O6 (Ln = lanthanide (III) or Y3+ and B' = Nb5+, Ta5+ or Sb5+). It was found that I4/m tetragonal symmetry was favoured when B' was a transition metal with a s

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23

Andreev, A. A., V. N. Voevodin, O. V. Sobol, et al. "Effect of Ion Irradiation on the Structural State of the Vacuum-Arc Nitride Coatings." Thesis, Sumy State University, 2013. http://essuir.sumdu.edu.ua/handle/123456789/35134.

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The effect of irradiation with ions Ar+ (energy of 1 MeV and 1.8 MeV) and He (energy of 0.6 MeV) on the structure and mechanical properties of the vacuum-arc nitride coatings. It is shown that the level of exposure to radiation materials can be divided into 3 classes: a) “the most persistent” - significant changes occur only on the substructure level (as an example - multi-element system Ti-Zr-V-Hf-Nb-Ta-N), b) “the medium resistance “- significant changes occur in the macro stress-strained state (as an example - the system Ti-N), c) “structural variable” – significant changes in the mac

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24

Conroy, Daniel William. "Structural Studies of Biomolecules by Dynamic Nuclear Polarization Solid-State NMR Spectroscopy." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1555428362333615.

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25

Тищенко, Костянтин Володимирович, Константин Владимирович Тищенко та Kostiantyn Volodymyrovych Tyshchenko. "Електромеханічні властивості плівкових матеріалів на основі магнітних металів". Thesis, Сумський державний університет, 2018. http://essuir.sumdu.edu.ua/handle/123456789/67804.

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Дисертацію присвячено комплексному дослідженю електромеханічних властивостей дво- і тришарових металевих плівок і плівкових сплавів на основі Fe і Pt, Gd або Ni та поясненню фізичних ефектів, які виникають у плівках в області пружної, квазіпружної і пластичної деформації. Встановлено взаємозв’язок між структурно-фазовим станом досліджуваних плівок і їх елекромеханічними властивостями. Показано, що зменшення розмірів зерен призводить до зменшення значення межі переходу від пружної до пластичної деформації. Уперше встановлені закономірності появи нелінійних ефектів у електромеханічних властивост

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26

Laduye, Guillaume. "CVD du carbure de silicium à partir du système SiHxCl4-x/CyHz/H2 : étude expérimentale et modélisation." Thesis, Bordeaux, 2016. http://www.theses.fr/2016BORD0116/document.

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Le carbure de silicium est un matériau souvent employé comme matrice dans les composites thermostructuraux. Le précurseur classiquement utilisé pour son élaboration par dépôt/infiltration par voie gazeuse est CH3SiCl3. La thèse vise à évaluer le remplacement de ce précurseur par des précurseurs gazeux bi-sourcés de SiC où carbone et silicium sont apportés séparément.A partir du système SiHCl3/C3H8/H2, l’influence du débit total, de la température, de la pression totale et de (C/Si)gaz sont évaluées et comparées aux résultats obtenus avec le système CH3SiCl3/H2. La mesure in situ de la vitesse

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27

Логвинов, Андрій Миколайович, Андрей Николаевич Логвинов та Andrii Mykolaiovych Lohvynov. "Фізичні властивості плівкових приладових структур на основі Ru і Cо". Thesis, Сумський державний університет, 2021. https://essuir.sumdu.edu.ua/handle/123456789/82662.

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Дисертаційна робота присвячена комплексному дослідженню фізичних властивостей приладових структур сформованих на основі тонких плівок Ru i Cо та взаємозв’язку особливостей структурно-фазового стану та розмірних ефектів в електрофізичних і магніторезистивних властивостях як одношарових плівок Ru та Со, так і плівкових систем на їх основі, отриманих методами магнетронного та електронно-променевого осадження. Додатково пояснюються фізичні процеси, що виникають при заліковуванні дефектів у одношарових плівках під час термічної обробки при дослідженні їх електрофізичних властивостей. Встановлено, щ

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28

Hafner, Ferdinand. "Cognitive biases and structural failures in United States foreign policy explaining decision-making dissonance in Phase IV policy and plans for Iraq." Thesis, Monterey, Calif. : Naval Postgraduate School, 2007. http://bosun.nps.edu/uhtbin/hyperion-image.exe/07Dec%5FHafner.pdf.

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Thesis (M.A. in National Security Affairs)--Naval Postgraduate School, December 2007.<br>Thesis Advisor(s): Russell, James. "December 2007." Description based on title screen as viewed on January 18, 2008. Includes bibliographical references (p. 63-71). Also available in print.

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Хоменко, Любов Григорівна, Любовь Григорьевна Хоменко та Ljubov Grigorіvna Khomenko. "Структурні перетворення в швидкозагартованих бінарних та квазібінарних системах на основі Fe, Ti та W". Thesis, Техн. центр НАН Укр, 2012. http://essuir.sumdu.edu.ua/handle/123456789/27209.

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Постійний інтерес, що проявляють дослідники, які працюють у галузі фізики конденсованого стану та фізичного металознавства змішаних систем, до досліджень матеріалів з особливими механічними, тепловими, електричними, магнітними та ін. властивостями, обумовлений прагненням пояснити різноманітність притаманних унікальних властивостей, користуючись загальними принципами, та розробити принципи оптимізації режимів синтезу та термочасової обробки для формування певної структури цих матеріалів. У той самий час у науковій літературі дані про структурний і напружений стан таких плівок та узагаль

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Шовкопляс, Оксана Анатоліївна, Оксана Анатольевна Шовкопляс та Oksana Anatoliivna Shovkoplias. "Вплив умов формування та терморадіаційної обробки на структуру й властивості покриттів систем Ti-W-C і Ti-W-B". Thesis, Сумський державний університет, 2016. http://essuir.sumdu.edu.ua/handle/123456789/44630.

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Дисертація присвячена питанням структурної інженерії іонно-плазмових покриттів систем Ti-W-C і Ti-W-B. У роботі проведені систематичні комплексні дослідження процесів утворення структури, фазового складу, субструктурних характеристик, напружено-деформованого стану та їх впливу на фізико-механічні властивості в залежності від параметрів осадження, посконденсаційного відпалу та радіаційної дії при опроміненні покриттів прискореними іонами. Визначені умови формування аморфноподібного структурного стану і росту стовпчастої структури з анізомірними кристалітами; режими осадження, які забезпечують

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Piot, Lucas. "Influence de l’énergie d’interface sur les transitions de phase sous pression : étude de nanoparticules d’oxydes fonctionnels." Thesis, Lyon 1, 2013. http://www.theses.fr/2013LYO10238/document.

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La modification des diagrammes de phase sous pression dans les nanomatériaux en comparaison de matériaux massifs est généralement reliée de façon univoque à l'énergie de surface. L'objectif de ce travail a consisté à étudier l'influence de l'énergie d'interface, définie par l'état de surface (défauts cristallins et chimie de surface) et l'énergie de surface, sur le comportement à haute pression de différents nanomatériaux pour lesquels un effet de taille est fréquemment rapporté. Le contrôle et la caractérisation de l'état de surface de nanoparticules d'Y2O3 nous ont permis de montrer que l'am

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Schmidt, Marek Wojciech. "Phase formation and structural transformation of strontium ferrite SrFeOx." Phd thesis, 2001. http://hdl.handle.net/1885/48187.

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Non-stoichiometric strontium iron oxide is described by an abbreviated formula SrFeOx (2.5 ≤ x ≤ 3.0) exhibits a variety of interesting physical and chemical properties over a broad range of temperatures and in different gaseous environments. The oxide contains a mixture of iron in the trivalent and the rare tetravalent state. The material at elevated temperature is a mixed oxygen conductor and it, or its derivatives,can have practical applications in oxygen conducting devices such as pressure driven oxygen generators, partial oxidation reactors in electrodes for solid oxide fuel cells (SOFC).

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Kaur, Ramanpreet. "Structure-Function Control in Organic Co-Crystals/Salts Via Studies on Polymorphism, Phase Transitions and Stoichiometric Variants." Thesis, 2015. https://etd.iisc.ac.in/handle/2005/3729.

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The thesis entitled “Structure-function control in organic co-crystals/salts via studies on polymorphism, phase transitions and stoichiometric variants” consists of five chapters. The main emphasis of the thesis is on two aspects, one to characterize co-crystal polymorphism in terms of propensity of intermolecular interactions to form co-crystals/salts or eutectics. The other aspect is to explore the feasibility of using such co-crystals/salts to exhibit properties like proton conduction, dielectric and ferroelectric behaviour. Gallic acid and its analogues possess functionalities to provide

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Kaur, Ramanpreet. "Structure-Function Control in Organic Co-Crystals/Salts Via Studies on Polymorphism, Phase Transitions and Stoichiometric Variants." Thesis, 2015. http://etd.iisc.ernet.in/2005/3729.

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Abstract:

The thesis entitled “Structure-function control in organic co-crystals/salts via studies on polymorphism, phase transitions and stoichiometric variants” consists of five chapters. The main emphasis of the thesis is on two aspects, one to characterize co-crystal polymorphism in terms of propensity of intermolecular interactions to form co-crystals/salts or eutectics. The other aspect is to explore the feasibility of using such co-crystals/salts to exhibit properties like proton conduction, dielectric and ferroelectric behaviour. Gallic acid and its analogues possess functionalities to provide

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Amorim, Carlos de Oliveira. "Experimental and modeling studies of magnetoelectric multiferroic heterostructured materials." Doctoral thesis, 2019. http://hdl.handle.net/10773/27751.

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Multiferroic materials are a very exotic type of materials which present simultaneously two or more ferroic properties. Magnetoelectric multiferroics, in particular, are a very prominent class of materials, mainly due to their outstanding foreseen applications such as magnetic sensors, energy harvester/conversion devices, and high efficiency memories. However, intrinsic magnetoelectric materials are quite rare and do not have, yet, the adequate properties to the everyday applications. One of the reasons for this to occur is due to the requirements for magnetism and ferroelectricity in matter b

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Vest, Brian Michael. "The electronic, structural, and magnetic properties of the chromium dihalides - from the gas-phase to the solid-state : a thesis submitted in partial fulfillment of the requirements of the degree of Doctor of Philosophy in Theoretical Chemistry at Massey University, Albany, New Zealand." 2008. http://hdl.handle.net/10179/744.

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Unrestricted Kohn-Sham (broken symmetry) density functional calculations have been used to determine the low-energy geometries of the chromium dihalide molecules (CrX2) and their clusters, Cr2X4, Cr3X6, and Cr4X8. The monomers are also investigated at a higher level, including coupled-cluster and state-average CASSCF computations. Our calculations show that the monomers have a 5B2 ground state arising from the Renner-Teller distorted 5IIg transition state, leading to a bent geometry. The global minima of the gas-phase clusters of CrF2 and CrCl2 consist of two-dimensional, anti-ferromagneticall

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Feist, Armin. "Next-Generation Ultrafast Transmission Electron Microscopy – Development and Applications." Thesis, 2018. http://hdl.handle.net/11858/00-1735-0000-002E-E48B-B.

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Pal, Rumpa. "Addressing Subtle Physicochemical Features Exhibited by Molecular Crystals Via Experimental and Theoretical Charge Density Analysis." Thesis, 2015. https://etd.iisc.ac.in/handle/2005/3734.

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The thesis entitled “Addressing subtle physicochemical features exhibited by molecular crystals via Experimental and Theoretical Charge Density Analysis” consists of five chapters. An introductory note provides a brief description of experimental and theoretical charge density methodology, followed by its utilization in obtaining certain physical and chemical properties in molecular crystals. Chapter 1 addresses not so easily accessed molecular property arising due to electron conjugation, highlighting antiaromaticity in tetracyclones. A systematic study of six tetracyclone derivatives with

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Pal, Rumpa. "Addressing Subtle Physicochemical Features Exhibited by Molecular Crystals Via Experimental and Theoretical Charge Density Analysis." Thesis, 2015. http://etd.iisc.ernet.in/2005/3734.

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Abstract:

The thesis entitled “Addressing subtle physicochemical features exhibited by molecular crystals via Experimental and Theoretical Charge Density Analysis” consists of five chapters. An introductory note provides a brief description of experimental and theoretical charge density methodology, followed by its utilization in obtaining certain physical and chemical properties in molecular crystals. Chapter 1 addresses not so easily accessed molecular property arising due to electron conjugation, highlighting antiaromaticity in tetracyclones. A systematic study of six tetracyclone derivatives with

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40

Pal, Banabir. "Electronic and Magnetic Structures of Some Selected Strongly Correlated Systems." Thesis, 2016. http://etd.iisc.ac.in/handle/2005/2970.

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Transition metal oxides and chalcogenides are an ideal platform for demonstrating and investigating many interesting electronic phases of matter. These phases emerge as a result of collective many body interactions among the electrons. The omnipresent electron, depending on its interaction with other electrons and with the underlying lattice, can generate diverse phases of matter with exotic physical properties. The ultimate objective of Materials Science is to provide a complete microscopic understanding of these myriad electronic phases of matter. A proper understanding of the collective qua

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Pal, Banabir. "Electronic and Magnetic Structures of Some Selected Strongly Correlated Systems." Thesis, 2016. http://hdl.handle.net/2005/2970.

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Abstract:

Transition metal oxides and chalcogenides are an ideal platform for demonstrating and investigating many interesting electronic phases of matter. These phases emerge as a result of collective many body interactions among the electrons. The omnipresent electron, depending on its interaction with other electrons and with the underlying lattice, can generate diverse phases of matter with exotic physical properties. The ultimate objective of Materials Science is to provide a complete microscopic understanding of these myriad electronic phases of matter. A proper understanding of the collective qua

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