Computer simulations of water near model organic surfaces interfacial behavior and hydration forces
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2003
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| 100 | 1 | |a Hayashi, Tomohiro |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Computer simulations of water near model organic surfaces |b interfacial behavior and hydration forces |c [vorgelegt von Tomohiro Hayashi] |
| 264 | 1 | |c 2003 | |
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Datensatz im Suchindex
| DE-BY-UBR_call_number | 24/V22036 |
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| adam_text |
CONTENTS
INTRODUCTION.
CHAPTER 1: WATER-SOLID INTERFACES. A LITERATURE REVIEW.
1.1 "HYDROPHOBIC" AND "HYDROPHILIC".
1.2 THE PROPERTIES OF WATER AT WATER-SOLID INTERFACES.
1.3 HYDRATION FORCES.
1.4 SURFACES RESISTANT TO PROTEIN ADSORPTION.
CHAPTER 2: SIMULATION METHOD.
2.1 THERMODYNAMIC AVERAGES.
2.2 MARKOV CHAINS AND THE METROPOLIS METHOD.
2.3 GRAND CANONICAL MONTE CARLO SIMULATIONS.
2.3.1 DISPLACEMENTS.
2.3.2 INSERTIONS AND DELETIONS.
2.3.3 IMPROVING THE SAMPLING EFFICIENCY.
2.3.4 BOUNDARY CONDITIONS.
2.4 QUANTITIES CALCULATED.
CHAPTER 3: EVALUATION OF POTENTIAL ENERGY.
3.1 WATER-WATER INTERACTIONS.
3.2 INTRA- AND INTERMOLECULAR INTERACTIONS WITHIN SAM.
3.2.1 POTENTIAL FUNCTIONS AND PARAMETERS.
3.2.2 THE FORCE FIELD TESTING.
3.2.3 EVALUATION OF COULOMB LATTICE SUMS.
3.3 WATER-SAM INTERACTIONS.
3.3.1 POTENTIAL FUNCTIONS AND PARAMETERS.
3.3.2 THE FORCE FIELD TESTING.
3.5 SAM-SUBSTRATE INTERACTIONS.
3.6 THE INTERACTION OF WATER WITH STRUCTURELESS MODEL SURFACES.
CHAPTER 4: WATER CONFINED BETWEEN STRUCTURELESS WALLS.
4.1 BULK WATER.
4.2 NON-ORIENTING WALLS.
4.3 PROTON-ACCEPTOR WALLS.
4.4 WALLS BEARING BOTH PROTON ACCEPTORS AND PROTON DONORS.
CHAPTER 5: WATER CONFINED BETWEEN SELF-ASSEMBLED MONOLAYERS
5.1 WATER CONFINED BETWEEN AG-SUPPORTED SAMS.
5.2 WATER CONFINED BETWEEN AU-SUPPORTED SAMS.
5.3 SIMULATION RESULTS VERSUS NEUTRON REFLECTIVITY MEASUREMENTS.
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BIBLIOGRAFISCHE INFORMATIONEN
HTTP://D-NB.INFO/967898528
CONCLUSIONS
REFERENCES
ACKNOWLEDGEMENTS |
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| author | Hayashi, Tomohiro |
| author_facet | Hayashi, Tomohiro |
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| institution | BVB |
| language | English |
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| spellingShingle | Hayashi, Tomohiro Computer simulations of water near model organic surfaces interfacial behavior and hydration forces Monoschicht (DE-588)4250307-3 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd Hydratation (DE-588)4193125-7 gnd Organische Verbindungen (DE-588)4043816-8 gnd Selbstorganisation (DE-588)4126830-1 gnd |
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| title | Computer simulations of water near model organic surfaces interfacial behavior and hydration forces |
| title_auth | Computer simulations of water near model organic surfaces interfacial behavior and hydration forces |
| title_exact_search | Computer simulations of water near model organic surfaces interfacial behavior and hydration forces |
| title_full | Computer simulations of water near model organic surfaces interfacial behavior and hydration forces [vorgelegt von Tomohiro Hayashi] |
| title_fullStr | Computer simulations of water near model organic surfaces interfacial behavior and hydration forces [vorgelegt von Tomohiro Hayashi] |
| title_full_unstemmed | Computer simulations of water near model organic surfaces interfacial behavior and hydration forces [vorgelegt von Tomohiro Hayashi] |
| title_short | Computer simulations of water near model organic surfaces |
| title_sort | computer simulations of water near model organic surfaces interfacial behavior and hydration forces |
| title_sub | interfacial behavior and hydration forces |
| topic | Monoschicht (DE-588)4250307-3 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd Hydratation (DE-588)4193125-7 gnd Organische Verbindungen (DE-588)4043816-8 gnd Selbstorganisation (DE-588)4126830-1 gnd |
| topic_facet | Monoschicht Monte-Carlo-Simulation Hydratation Organische Verbindungen Selbstorganisation Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=013064946&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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