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The Application of Quantum Mechanics in Reactivity of Molecules
| The Application of Quantum Mechanics in Reactivity of Molecules |
| Autore | Sousa Sérgio F |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (182 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
[NiFeSe] hydrogenase
antioxidants chemical kinetics chemical reactivity theory concerted rotation of the hydroxyl groups condensed phase conformational mobility coordination complexes depressive disorder DFT DFT calculations dispersion donor-acceptor systems electronic structure first-principles calculations fluoxetine Fourier transform infrared (FTIR) frequencies free radical scavengers HSAB principle hydroxyl group information theory major master equation mechanical properties n/a nanostructures optical properties oxidative stress partial electronic flows phase-current relations porphyrins, density functional theory Pyrophosphate quantum mechanics quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations quantum technology quantum-chemical calculations Quercetin molecule reaction rate reactive oxygen species regional complementarity rule RRKM theory scanning tunneling microscopy self-assembly solid state subsystem phases surfaces transition state vibrational frequency analyses virial theorem |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557762903321 |
Sousa Sérgio F
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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The Role of Non-Stoichiometry in the Functional Properties of Oxide Materials
| The Role of Non-Stoichiometry in the Functional Properties of Oxide Materials |
| Autore | Veronica Ganduglia-Pirovano Maria |
| Pubbl/distr/stampa | Frontiers Media SA, 2019 |
| Descrizione fisica | 1 online resource (160 p.) |
| Soggetto topico | Science: general issues |
| Soggetto non controllato |
Binary oxides
Catalysis Density Functional Theory Ionic defects oxide perovskites oxide-based materials surfaces Theory and experiments |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557769403321 |
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Veronica Ganduglia-Pirovano Maria
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| Frontiers Media SA, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Tribological Performance of Artificial Joints / J. Philippe Kretzer, Amir Kamali
| Tribological Performance of Artificial Joints / J. Philippe Kretzer, Amir Kamali |
| Autore | Kretzer J. Philippe |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (178 p.) |
| Soggetto topico | Medicine and Nursing |
| Soggetto non controllato |
alginate
biotribology multiwall carbon nanotubes arthroplasty validated model implant lubrication fillers ion treatment biomechanical testing/analysis titanium niobium nitride orthopedic UHMWPE wear testing wear resistance wear debris biomaterials biolubricant wear simulation surface engineering degenerative disc disease total disc replacement joint simulators crosslinked polyethylene TKA unicompartmental arthroplasty implants mechanical properties pin-on-plate ultra-high molecular weight polyethylene hip implants failure highly crosslinked UHMWPE gamma irradiation hip joint simulator oxidized zirconium osteolysis histomorphological characterization cross-linked polyethylene wear hip prosthesis cobalt abrasion metal-on-metal synovial lining wear debris cytotoxicity alternative bearings surfaces polyethylene wear knee replacement patello-femoral joint crosslink density FEA coating ultra high molecular weight polyethylene contact angle finite element analysis systematic review wear analysis/testing knee in vitro macrophages response synovial fluid gellan gum |
| ISBN |
9783039210794
3039210793 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346668303321 |
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Kretzer J. Philippe
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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