Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 21342 for “"molecular"”.
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PRE-NUCLEATION IN MOLECULAR LIQUIDS: A MOLECULAR DYNAMICS PERSPECTIVE
I cristalli sono molto diffusi nella vita quotidiana e svolgono un ruolo centrale nei settori farmaceutico, alimentare e della scienza dei materiali, consentendo un’ampia gamma di applicazioni tecnologiche avanzate. Nonostante la loro importanza, la fase iniziale della cristallizzazione, la …
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Molecular Force Sensors. Molecular insights into mechanochemical signal conversion
Contains fulltext : 149859.pdf (Publisher’s version ) (Open Access)
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MOLECULAR RECOGNITION PROPERTIES OF MOLECULAR CONTAINERS IN AQUEOUS SOLUTIONS
Supramolecular containers take advantage of non-covalent interactions to do a variety of tasks with high affinity. In particular, water-soluble containers are able to bind biologically relevant molecules to perform useful and interesting tasks. Chapter 1 introduces the field of supramolecular …
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Steered molecular dynamics: a tool to investigate molecular interactions
Steered molecular dynamics (SMD) induces unbinding of ligands and conformational changes in biomolecules on time scales accessible to molecular dynamics simulations. Time-dependent external forces are applied to a system, and the response of the system is analyzed. In this work, the application of …
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Molecular Dynamic Simulation of Bio-molecular Dynamics, Folding, and Assembly
A major goal in molecular biophysics is to understand how biomolecules fold into specific structures to carry out cellular processes to result in a functioning organism. Computational molecular dynamics (MD) simulations can characterize biomolecules at a microscopic level. These indispensable …
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Studies in molecular recognition : self-assembling molecular host-guest sytems
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1996.
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Organic molecular nanotechnology
Das p-Hexaphenylen (p6P) hat sich als besonders geeignet gezeigt lange, parallel angeordnete organische Nanofasern mit außergewöhnlichen optischen Eigenschaften auf einem Muskovit Glimmer Substrat auszubilden. Funktionelle Gruppen wurden über eine Suzuki Kreuzkupplungsstrategie in den …
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Quasicentroid Molecular Dynamics
… of the Feynman paths. This “quasicentroid molecular dynamics”, or QCMD, closely approximates the vibrational spectra of model gaseous and condensed-phase water over a broad range of temperatures, improving significantly on the established path-integral methods. We anticipate that QCMD will …
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Molecular color centers
… qubits, for quantum information science. While molecular platforms may be used to create bespoke qubits for applications from nanoscale sensing to secure communication, such systems generally lack ground state spins capable of non-thermal initialization and single spin readout, hindering their …
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A multi-molecular line study of an entire giant molecular cloud
… Presented here are the results of multi-molecular lines mapping of the entire giant molecular cloud G333, comprised sites of low- and high-mass star forming regions in various evolution stages of star formation. The result shows the spatial distribution of CS, HCO+, HCN and HNC are …
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The structure of molecular liquids: neutron diffraction and molecular dynamics simulations
… performed to obtain the distinct (intra- + inter-molecular), G<sup>dist </sup>(<i>r</i>) and inter-molecular, G<sup>inter</sup>(<i>r</i>) radial distribution functions (rdfs) for the three samples. The H/D substitution on hydroxyl-hydrogen (Ho) has been used to extract the partial distribution …
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Understanding electrochemistry at the Molecular scale : molecular dynamics methods and applications
… We propose a combination of methods for the molecular dynamics simulation of constant potential, electrochemically active devices and use these methods to reveal the importance of molecular character on nanoscale device behavior. For example, a macroscopic relationship between transference …
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Frequency domain fluorescent molecular tomography and molecular probes for small animal imaging
… we have developed a frequency domain fluorescent molecular tomographic system based on the heterodyne technique using a single source and detector pair for small animal imaging. In our system, the intensity of laser source is modulated to produce a diffuse photon density wave in the tissue. The …
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Investigations in molecular structure: from scattering to molecular complexes of brominated compounds
… with reference to polymorphism and intermolecular interactions. To achieve this, work on the investigation of nucleation and early-stage crystallisation was carried out at the Department of Pharmaceutical Sciences at the University of Strathclyde and also at the central synchrotron …
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Molecular Zeeman Studies of Ring-Molecules and Molecular Beam-Microwave Spectrometer Development
Made available in DSpace on 2014-12-10T23:01:25Z (GMT). No. of bitstreams: 1 7309879.pdf: 2341498 bytes, checksum: e999b1a772394aa1469ef384ac1a3de2 (MD5) Previous issue date: 1972
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The G332 Molecular Cloud
… study and physical analysis of a new Giant Molecular Cloud (GMC) discovered using a survey of the Galactic Plane in the lines of the carbon monoxide isotopologues (12CO, 13CO, C18O J = 1 → 0) undertaken with the 22m Mopra radio telescope (Mopra CO Southern Galactic Plane Survey, Mopra CO …
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Molecular Evolution of Viruses
<p>Molecular evolution is the process of evolution at the scale of DNA, RNA and proteins. Our goal was to study molecular evolution of viruses with special reference to Influenza A Virus.</p> <p>The recent Influenza A/H1N1(2009) outbreak has been the focus of intense research because of its high …
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Molecular Basis of Mechanosensitivity
… provides a crucial next step in elucidating the molecular basis of mechanosensation.</p>
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MOLECULAR DISSECTION OF CARDIOMYOPATHY
Hypertrophic (HCM) and dilated cardiomyopathy (DCM) are inherited cardiac conditions with marked genetic heterogeneity. The genetic aetiology of HCM and DCM in Singapore and European was broadly similar but Singapore Chinese HCM patients frequently have fewer clinically actionable disease variants, …
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