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Dissertations / Theses on the topic 'Solvations'

Author: Grafiati
Published: 25 July 2024
Last updated: 31 July 2025

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1

Adamovic, Ivana. "Solvation!" Washington, D.C. : Oak Ridge, Tenn. : United States. Dept. of Energy. Office of Science ; distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2004. http://www.osti.gov/servlets/purl/835373-NLtQXD/webviewable/.

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19 Dec 2004.<br>Published through the Information Bridge: DOE Scientific and Technical Information. "IS-T 2009" Ivana Adamovic. 12/19/2004. Report is also available in paper and microfiche from NTIS.
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2

Yokogawa, Daisuke. "Development of solvation theories focused on solvation structure and electronic structure." 京都大学 (Kyoto University), 2008. http://hdl.handle.net/2433/66209.

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3

Amman, Nahom. "The Solvation Chemistry of Polyoxometalates." Thesis, Umeå universitet, Kemiska institutionen, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-173088.

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4

Doyle, Carrie C. "Interfacial Potentials in Ion Solvation." University of Cincinnati / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1595499330707637.

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5

Carlotto, Silvia. "Modeling of dynamic solvation effects." Doctoral thesis, Università degli studi di Padova, 2008. http://hdl.handle.net/11577/3426266.

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Reactivity of molecular and supramolecular systems is greatly modified by the surrounding environment, often a fluid medium, and an active area of research is nowadays the study of the influence of a solvent structure on the static and dynamic properties of photo-active and paramagnetic probes, varying solvent properties, sample geometry and external perturbations. Standard continuum solvent theories are based on crude representations of the probe. Solvation processes depend in a specific way upon the structure of the solute, and in particular on molecular features as shape, flexibility, dis
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6

Archer, Geoffrey Philip. "Spectroscopic studies of solvation : Part 1, Solvation of thiols; Part 2, Hydration of deoxyribonucleic acid." Thesis, University of Leicester, 1989. http://hdl.handle.net/2381/35412.

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The extent of hydrogen bonding in ethanethiol is determined using a correlation between the chemical shift of the sulphydryl proton and the stretching frequencies of the component bands of the vS-H infrared band The component bands having stretching frequencies at 2585 cm-1 and 2570 cm-1 for non hydrogen bonded and mono-hydrogen bonded thiol groups respectively. It is calculated that the pure liquid at 22°C. contains ca. 49% free SH bonds. A dimerisation constant of 0.038 dm3 mol-1 is estimated at 22°C. 2-Hydroxyethanethiol is used to investigate the strength of hydrogen bonding to the thiol g
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7

Patel, Kirankumar B. "Studies of solvation by spectroscopic methods." Thesis, University of Leicester, 1985. http://hdl.handle.net/2381/33846.

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The work described in this thesis is concerned with the use of relatively simple compounds in dilute solution to study solvation phenonena. Spectroscopic techniques such as infrared and NMR have been used to follow the environment of the 'probe' throughout various mixed and pure solvent states. The potential of NMR spectroscopy to solvation has been explored. Solvent effects on the resonance show that the sensitivity decreases in the order phosphine oxides - phosphonates - phosphates. This trend is also seen amongst carbonyl ccmpounds where the NMR sensitivity decreases in the order ketones -
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8

Day, Tyler James Frederick. "Ion solvation dynamics in binary solvents." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape7/PQDD_0021/NQ46338.pdf.

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9

Johansson, Anna CV. "Solvation properties of proteins in membranes." Doctoral thesis, Stockholms universitet, Institutionen för biokemi och biofysik, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-27437.

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Knowledge about the insertion and stabilization of membrane proteins is a key step towards understanding their function and enabling membrane protein design. Transmembrane helices are normally quite hydrophobic to insert efficiently, but there are many exceptions with unfavorable polar or titratable residues. Since evolutionary conserved these amino acids are likely of paramount functional importance, e.g. the four arginines in the S4 voltage sensor helix of voltage-gated ion channels. This has lead to vivid discussion about their conformation, protonation state and cost of insertion. To addre
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10

Gosal, Nrinder Singh. "Solvation and reactivity of inorganic complexes." Thesis, University of Leicester, 1985. http://hdl.handle.net/2381/33692.

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A simplified description is given of the operation of a multiwire proportional chamber (MWPC) in the soft X-ray imaging application. Expressions are developed to allow the calculation of the distribution of induced charge on the cathodes of an MWPC. With extensions to permit direct comparison, the calculations are subjected to detailed experimental verification. A generalised, approximate formulation of the distribution with one independent parameter is described. The prediction of cathode system position response using the theoretical distributions is demonstrated. The available MWPC position
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11

Kile, Jennifer Lynn. "Solvation Energy Calculations of Homologous Trimethylammoniocarboxylates." Thesis, Virginia Tech, 2004. http://hdl.handle.net/10919/10127.

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Calculating the solvation energies of surfactants is a way to predict the cmc. The solvation energies were determined for a homologous series of betaines, (CH₃)₃N+(CH₂)nCOO- where n = 1 to 6. Their structure is composed of only the hydrophilic head group of a surfactant. The solvation energies were determined from both the gas phase energy and free energy of solution. Conformational analysis was performed on each molecule to locate the lowest energy structures and determine the Boltzmann population of each conformation for each molecule. The final solvation energies for each molecule are expec
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12

Paes, Francisco Carlos. "Combining a Continuum Solvation Model with an Equation of State to Calculate Solvation Effects in Detailed Kinetic Models." Electronic Thesis or Diss., Université de Lorraine, 2024. http://www.theses.fr/2024LORR0190.

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Les modèles cinétiques détaillés sont des atouts précieux pour décrire les systèmes réactifs complexes régis par des mécanismes de réactions radicalaires en chaîne. Ils fournissent une vue d'ensemble du chemin réactionnel, aidant à l'identification des étapes clés de la réaction, et peuvent être utilisés dans le dimensionnement des réacteurs. Les générateurs cinétiques automatiques sont des outils essentiels dans le développement de ces modèles. Ces générateurs s'appuient sur des approximations de type gaz parfait pour calculer les propriétés thermocinétiques requises, en utilisant des méthode
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13

Álvarez, García Daniel. "Protein solvation preferences: applications to drug discovery." Doctoral thesis, Universitat de Barcelona, 2014. http://hdl.handle.net/10803/285451.

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Computer-aided drug design is a key player in current drug discovery projects. Structure-based computational approaches use the target structural information to suggest potentially active and safe drugs. However, the process is far from trivial and novel methodologies are continuously sought to address two main factors usually simplified and overlooked: Target flexibility and the effect and structure of water molecules at the binding site. As demonstrated by different NMR and crystallography experiments, small organic solvents (e.g. ethanol, isopropanol, acetonitrile) are able to identify b
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14

Murdock, Stuart Erwin. "Atomistic simulation of solvation thermodynamics and structure." Thesis, Queen's University Belfast, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.368478.

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15

Chacko, Blesson. "Hydrophobicity, solvation and structure formation in liquids." Thesis, Loughborough University, 2017. https://dspace.lboro.ac.uk/2134/27536.

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In this thesis we use density functional theory (DFT) to study the solvent mediated interactions between solvophobic, solvophilic and patchy nanostructures namely rectangular cross section blocks. We calculate both the density profiles and local compressibility around the blocks and the results obtained for our model system provide a means to understanding the basic physics of solvent mediated interactions between nanostructures, and between objects such as proteins in water, that possess hydrophobic and hydrophilic patches. Our results give an improved understanding of the behaviour of liquid
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16

Basa, Ma Leah Terencia Navarro. "Ionic Liquids: Solvation Characteristics and Cellulose Dissolution." University of Toledo / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1273730112.

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17

Pang, Teck Siong. "Thermodynamics of ion-solvation in nonaqueous solutions." Thesis, Pang, Teck Siong (1995) Thermodynamics of ion-solvation in nonaqueous solutions. PhD thesis, Murdoch University, 1995. https://researchrepository.murdoch.edu.au/id/eprint/51562/.

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This thesis is concerned with the study of the thermodynamics of ion-solvation in pure organic solvents and in aqueous organic solvent mixtures. The thermodynamic quantities studied are enthalpy, entropy, partial molal volume and partial molal heat capacity. As the partial molal volumes and heat capacities of electrolytes in organic solvents are relatively unexplored, a review is deemed to be useful and is treated as a major part of the thesis. The review includes a survey of reported data together with summaries of methods for determining partial molal quantities of electrolytes and ions.
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18

Spadina, Mario. "Solvation and Ion Specificity in Complex Media." Thesis, Montpellier, 2019. http://www.theses.fr/2019MONTS020/document.

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Le but de cette thèse était de créer des modèles pour deux applications qui apparaissent couramment en chimie séparative, à savoir la séparation solide-liquide et la séparation liquide-liquide. L'avantage de la modélisation est manifeste dans les deux cas. L'étude fondamentale des propriétés des ions et de leur solvatation dans les milieux complexes, en tenant compte de façon simplifié des différents effets mis en jeu, nous a permis de construire un cadre qui utile aussi bien aux chimistes en laboratoire qu’aux ingénieurs lors de la conception des procédés. Nous avons adapté cette stratégie su
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19

Hart, Erin F. "Using the Abraham Solvation Parameter Model to Predict Solute Transfer into Various Mono- and Multi-Functional Organic Solvents." Thesis, University of North Texas, 2018. https://digital.library.unt.edu/ark:/67531/metadc1157615/.

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The Abraham Solvation Parameter Model (ASPM) is a linear, free-energy relationship that can be used to predict various solute properties based on solute-solvent interactions. The ASPM has been used to predict log (K or Cs,organic/Cs,gas) values, as well as log (P or Cs,organic/Cs,water) values for solute transfer into the following organic solvents: 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, 2-isopropoxyethanol and 2-butoxyethanol. The derived log (K or Cs,organic/Cs,gas) correlations describe the experimental data to within 0.14 log units (or less). The derived log (P or Cs,organic/
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20

Mintz, Christina. "Predicting Chemical and Biochemical Properties Using the Abraham General Solvation Model." Thesis, University of North Texas, 2009. https://digital.library.unt.edu/ark:/67531/metadc28373/.

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Several studies were done to illustrate the versatillity of the Abraham model in mathematically describing the various solute-solvent interactions found in a wide range of different chemical and biological systems. The first study focused on using the solvation model to construct mathematical correlations describing the minimum inhibitory concentration of organic compounds for growth inhibition towards the three bacterial strains Porphyromonas gingivalis, Selenomonas artemidis, and Streptococcus sobrinus. The next several studies expand the practicallity of the Abraham model by predicting fr
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21

Wang, Shu. "Thermodynamic properties predictions using the COSMO-SAC solvation method." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file, 366 p, 2007. http://proquest.umi.com/pqdweb?did=1362532041&sid=24&Fmt=2&clientId=8331&RQT=309&VName=PQD.

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22

Carlsson, Jens. "Challenges in Computational Biochemistry: Solvation and Ligand Binding." Doctoral thesis, Uppsala University, Department of Cell and Molecular Biology, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8738.

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<p>Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding.</p><p>The thermodynamic integration technique is used to calculate p<i>K</i><sub>a</sub> values for three aspartic acid residues in two different proteins. MD simulations are carried out in explicit and Generalized-Born continuum solvent. The calculated p<i>K</i><sub>a</
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23

Arslanargin, Ayse. "Ion solvation in aqueous and non-aqueous solvents." University of Cincinnati / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1439281594.

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24

Pollard, Travis P. "Local Structure and Interfacial Potentials in Ion Solvation." University of Cincinnati / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1491562324303743.

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25

Lui, Matthew Yuk Yu. "Special solvation behaviour of salts in ionic liquid." Thesis, Imperial College London, 2012. http://hdl.handle.net/10044/1/9250.

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In a previous study1 from the Welton Group, the reactivity resulting from mixing two different and reactive salts together was observed to be highly dependent on the type of solvent, with molecular and ionic liquids exhibiting fundamentally different reaction pathways. Ionic liquids were shown to be extremely dissociating solvents and the salts behaved as discrete reactive species. Conversely, in molecular solvents neutral ion pairs or clusters were formed. In this thesis, further evidence of the charge screening behaviour of ionic liquids will be presented. The investigation was carried out b
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26

Shah, Prateek Pinakin. "Thermodynamics of apolar solvation in mixed aqueous solvents." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file, 227 p, 2008. http://proquest.umi.com/pqdweb?did=1601517501&sid=3&Fmt=2&clientId=8331&RQT=309&VName=PQD.

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27

Jones, Justin A. "Aqueous Solvation Method for Recombinant Spider Silk Proteins." DigitalCommons@USU, 2015. https://digitalcommons.usu.edu/etd/4267.

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Two major hurdles face the production of recombinant spider silk protein (rSSp) based materials. First, the production of sufficient quantities of rSSp has proven difficult due to their highly repetitive nature and protein size (>250kDa). Secondly, rSSp and native silks are practically insoluble in water based solutions, necessitating the use of harsh organic solvents that can remain in the material after production. While others are working on solving production problems, this dissertation demonstrates a novel aqueous solubilization method that is rapid (<1 minute) and results in near 100% so
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28

Spångberg, Daniel. "Cation Solvation in Water and Acetonitrile from Theoretical Calculations." Doctoral thesis, Uppsala University, Department of Materials Chemistry, 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3598.

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<p>Metal ions solvated in aqueous, non-aqueous, and mixtures of solvents occur in many chemical contexts, for example in electrochemical applications and solvent separation. Solvated ions appear in high concentration in the living organisms, where their presence or absence can fundamentally alter the functions of life. In many of these cases, understanding the selective solvation and the dynamics of the ions is essential for the understanding of the processes involved.</p><p>Computer simulation provides a molecular level of detail of the solvation process usually not available from experiments
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29

Moakes, Greg. "Study of Lithium Solvation Environments in Water-saturated Nitrobenzene." Diss., Georgia Institute of Technology, 2006. http://hdl.handle.net/1853/14105.

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It was found that there exist three major water environments when water is dissolved in nitrobenzene. 2H NMR has proved that these solvatomers exist irrespective of whether lithium salt is added to the system. 7Li NMR experiments suggested that the first solvatomer is majority nitrobenzene, the second a mixed solvation shell consisting of nitrobenzene and water and the third solvatomer is a large water aggregated at the glass surface. The mixed solvation state is short lived and is promoted by addition of water of by supersaturating the system upon cooling. This is a high energy state and deca
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30

Bizjak, Tanja. "Ultrafast photoinduced intra- und intermolecular charge transfer and solvation." Diss., lmu, 2004. http://nbn-resolving.de/urn:nbn:de:bvb:19-29695.

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31

Mitsui, Masaaki. "Solvation structure and nonradiative dynamics of hydrated aromatic clusters." 京都大学 (Kyoto University), 2000. http://hdl.handle.net/2433/151657.

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32

Spångberg, Daniel. "Cation solvation in water and acetonitrile from theoretical calculations /." Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3598.

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33

Alexandersson, Kristján Friðrik. "The hydrated torsions method : incremental solvation of amino acids." Thesis, University of Oxford, 2013. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.639817.

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In this thesis, the development and applications of the Hydrated Torsions (HT) method are discussed. The method is designed to study the incremental solvation of biomolecules and thus is ideal for the study of zwitterion formation. A reduced dimensionality approach, torsional path integral Monte Carlo, is used to explicitly treat the torsional motion of the biomolecules to provide anharmonic and quantum corrections of the torsional free energy. Four amino acids are treated with the HT method in this work; glycine, alanine, proline and serine. The initial development was performed using glycine
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34

Hanf, Karl J. M. (Karl John Mortley) 1969. "Protein design with hierarchical treatment of solvation and electrostatics." Thesis, Massachusetts Institute of Technology, 2002. http://hdl.handle.net/1721.1/29223.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Physics, 2002.<br>This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.<br>Includes bibliographical references (p. 249-258).<br>A detailed treatment of the electrostatic energy of biomolecules in solution is used for two applications that require consideration of large numbers of states: multiple-site titration and protein design. The continuum electrostatic model is combined with covalent, van der Waals, and non-polar energy terms, and t
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35

Liu, Mimi. "Single-Ion Solvation in Water and in Molten Salts." University of Cincinnati / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1627664846799413.

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36

Misin, Maksim. "Can approximate integral equation theories accurately predict solvation thermodynamics." Thesis, University of Strathclyde, 2016. http://digitool.lib.strath.ac.uk:80/R/?func=dbin-jump-full&object_id=27856.

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The thesis focuses on the prediction of solvation thermodynamics using integral equation theories. Our main goal is to improve the approach using a rational correction. We achieve it by extending recently introduced pressure correction, and rationalizing it in the context of solvation entropy. The improved model (to which we refer as advanced pressure correction) is rather universal. It can accurately predict solvation free energies in water at both ambient and non-ambient temperatures, is capable of addressing ionic solutes and salt solutions, and can be extended to non-aqueous systems. The d
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37

Ishida, Tateki. "Electronic Structure and Statistical Mechanical Approach to Solvation Processes." 京都大学 (Kyoto University), 1999. http://hdl.handle.net/2433/157185.

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本文データは平成22年度国立国会図書館の学位論文(博士)のデジタル化実施により作成された画像ファイルを基にpdf変換したものである<br>Kyoto University (京都大学)<br>0048<br>新制・課程博士<br>博士(理学)<br>甲第7938号<br>理博第2104号<br>新制||理||1122(附属図書館)<br>UT51-99-M243<br>京都大学大学院理学研究科化学専攻<br>(主査)教授 加藤 重樹, 教授 廣田 襄, 教授 木寺 詔紀<br>学位規則第4条第1項該当
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Konda, Sai Sriharsha Manoj. "Computational Investigation of Spin Traps Using Hybrid Solvation Models." Digital Commons @ East Tennessee State University, 2009. https://dc.etsu.edu/etd/1801.

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The cyclic nitrone 5,5-dimethyl-1-pyrroline-N-oxide (DMPO), and the lesser known linear phenyl-N-tert-butylnitrone (PBN) and its phosphorylated analogues have been used as spin traps for the investigation of free radicals in biological systems. Theoretical work on these molecules suggests that there are important differences in their properties between biological systems and isolated molecules in the gas phase, most likely resulting from intra and intermolecular hydrogen bonding. Most dielectric solvation models such as the polarized continuum model and COSMO are incapable of direct determinat
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39

Quan, Chaoyu. "Mathematical methods for implicit solvation models in quantum chemistry." Thesis, Paris 6, 2017. http://www.theses.fr/2017PA066587/document.

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Cette thèse est consacrée à étudier et à améliorer les modèles mathématiques et les méthodes utilisées pour les modèles de solvatation implicite en chimie quantique. Ce manuscrit est composée de deux parties. Dans la première partie où nous analysons l'interface soluté-solvant, nous donnons, pour la première fois, une caractérisation complète de la surface moléculaire lisse, c'est-à-dire la surface exclue du solvant (SES). À partie de cette caractérisation, nous développons un algorithme de maillage par morceaux pour les surfaces moléculaires différentes, en particulier pour la SES, en utilisa
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BOTTARI, CETTINA. "Solvation effects of ionic liquid/water mixtures on biomolecules." Doctoral thesis, Università degli Studi di Trieste, 2020. http://hdl.handle.net/11368/2960827.

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onic liquids (ILs) belong to a broad class of ionic compounds that, differently from conventional salts, are usually liquid at T < 100°C. They are characterized by vanishing vapour pressure, good thermal stability, high ion density and ionic conductivity. Thanks to the large variety of available ions, the physico-chemical properties of ILs can be modulated by careful selection of both cation and anion with specic characteristics for tailored applications. A more convenient strategy for an ecient tuning of the performances of ILs consists in mixing ILs with other ionic or molecular liquids, suc
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41

Caricato, Marco. "Theoretical Models to describe Time-Dependent and Nonequilibrium Solvation." Doctoral thesis, Scuola Normale Superiore, 2005. http://hdl.handle.net/11384/85801.

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Mukhopadhyay, Abhishek. "Investigating the effect of charge hydration asymmetry and incorporating it in continuum solvation framework." Diss., Virginia Tech, 2015. http://hdl.handle.net/10919/72901.

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One of the essential requirements of biomolecular modeling is an accurate description of water as a solvent. The challenge is to make this description computationally facile -- reasonably fast, simple, robust and easy to incorporate into existing software packages, yet accurate. The most rigorous procedure to model the effect of aqueous solvent is to explicitly model every water molecule in the system. For many practical applications, this approach is computationally too intense, as the number of required water atoms is on an average at least one order of magnitude larger than the number of at
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43

Masia, Marco. "Solvation dynamics and ion transport in conventional solvents and plasticizers." Doctoral thesis, Universitat Politècnica de Catalunya, 2005. http://hdl.handle.net/10803/6607.

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El argumento fundamental de esta tesis es el estudio de la solvatación iónica por medio de cálculos con ordenador. Tres lineas de investigación han sido seguidas:<br/>(i) Solvatación y mobilidad ionica. Las características principales del processo de intercambio entre la primera y la segunda capa de hidratación iónica para Li+ en agua se ha encontrado ser independiente del estado termodinamico en gran medida. Ha sido demostrado que el desplazamiento cuadrático medio de moléculas pertenecientes a complejos inertes está caracterizado por un largo transitorio debido a la lenta relajación rotacion
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44

Huffman, Carmen Louise. "The role of charge in solvation at liquid/liquid interfaces." College Park, Md. : University of Maryland, 2005. http://hdl.handle.net/1903/2663.

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Thesis (Ph. D.)--University of Maryland, College Park, 2005.<br>Thesis research directed by: Chemistry. Title from t.p. of PDF. Includes bibliographical references. Published by UMI Dissertation Services, Ann Arbor, Mich. Also available in paper.
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Costa, Paolo [Verfasser], Wolfram [Gutachter] Sander, and Patrick [Gutachter] Nürnberger. "Solvation of arylcarbenes / Paolo Costa. Gutachter: Wolfram Sander ; Patrick Nürnberger." Bochum : Ruhr-Universität Bochum, 2016. http://d-nb.info/1102525030/34.

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46

Kropman, Michel François. "Ion solvation in water femtosecond spectroscopy of hydrogen-bond dynamics /." [S.l. : Amsterdam : s.n.] ; Universiteit van Amsterdam [Host], 2004. http://dare.uva.nl/document/74586.

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47

Hubel, Hannes. "Solvation effects in real and simulated liquids and biological systems." Thesis, Queen Mary, University of London, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.408849.

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48

Skerratt, R. G. "Solvation and hydrolysis studies of phosphonium salts and their ylides." Thesis, Staffordshire University, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.380994.

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49

Roberts, K. "Further studies toward the development of an empirical solvation model." Thesis, Swansea University, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.638680.

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Solvolytic rate data are obtained (mainly by conductimetric technique) for reactions of 1-adamantyl iodide, trinitrophenolate (picrate), heptafluorobutyrate, trifluoroacetate, and 2-adamantyl trifluoromethanesulphonate (triflate) and perchlorate in binary aqueous mixtures of ethanol, methanol, acetone, trifluoroethanol and hexafluoroisopropanol, and also for the iodide substrate in acetic and formic acids. Additional data for iodine catalyzed solvolyses of 1-adamantyl iodide are reported. Rate data are also obtained for solvolyses of 1-adamantyl halides utilising a micro-cell and for solvolyse
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50

Grahn, Hans. "Paramagnetic relaxation reagents : nuclear magnetic resonance studies of preferential solvation." Doctoral thesis, Umeå universitet, Kemiska institutionen, 1986. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-100714.

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The interactions between neutral paramagnetic relaxation reagents (PARR's) and certain aromatic compounds have been studied by 1H and 13 C spin-lattice relaxation time measurements. In media such as cyclohexane and carbon tetrachloride, Cr(acac)3 becomes preferentially solvated by aromatic solutes. The solvation is significantly suppressed in a more interacting solvent like dichloromethane. Paramagnetic induced chemical shifts of the aromatic outer sphere ligand indicate in addition to relaxation data, a preferential orientation caused by dipole-dipole interactions. For benzene or for several
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