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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 electronic resource (182 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
Pyrophosphate
electronic structure mechanical properties optical properties first-principles calculations chemical reactivity theory HSAB principle information theory quantum mechanics regional complementarity rule virial theorem free radical scavengers antioxidants fluoxetine depressive disorder major oxidative stress DFT calculations reactive oxygen species porphyrins, density functional theory DFT surfaces self-assembly scanning tunneling microscopy dispersion nanostructures solid state condensed phase [NiFeSe] hydrogenase quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations vibrational frequency analyses Fourier transform infrared (FTIR) frequencies Quercetin molecule conformational mobility hydroxyl group transition state concerted rotation of the hydroxyl groups quantum-chemical calculations quantum technology chemical kinetics reaction rate RRKM theory master equation coordination complexes donor-acceptor systems partial electronic flows phase-current relations subsystem phases |
| 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 electronic resource (160 p.) |
| Soggetto topico | Science: general issues |
| Soggetto non controllato |
Catalysis
oxide-based materials surfaces Theory and experiments Ionic defects Density Functional Theory Binary oxides oxide perovskites |
| 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
| Tribological Performance of Artificial Joints |
| Autore | Kretzer J. Philippe |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (178 p.) |
| 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 | 3-03921-079-3 |
| 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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