Info
- Utilizzare la checkbox di selezione a fianco di ciascun documento per attivare le funzionalità di stampa, invio email, download nei formati disponibili del (i) record.
30th International Symposium on Shock Waves 1 : ISSW30 - Volume 1 / / edited by Gabi Ben-Dor, Oren Sadot, Ozer Igra
| 30th International Symposium on Shock Waves 1 : ISSW30 - Volume 1 / / edited by Gabi Ben-Dor, Oren Sadot, Ozer Igra |
| Edizione | [1st ed. 2017.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 |
| Descrizione fisica | 1 online resource (746 pages) : illustrations |
| Disciplina | 531.1133 |
| Soggetto topico |
Mechanical engineering
Fluids Materials science Physical chemistry Computational intelligence Mechanical Engineering Fluid- and Aerodynamics Characterization and Evaluation of Materials Physical Chemistry Computational Intelligence |
| ISBN | 3-319-46213-X |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910254170103321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
30th International Symposium on Shock Waves 2 : ISSW30 - Volume 2 / / edited by Gabi Ben-Dor, Oren Sadot, Ozer Igra
| 30th International Symposium on Shock Waves 2 : ISSW30 - Volume 2 / / edited by Gabi Ben-Dor, Oren Sadot, Ozer Igra |
| Edizione | [1st ed. 2017.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 |
| Descrizione fisica | 1 online resource (681 pages) |
| Disciplina | 531.1133 |
| Soggetto topico |
Mechanical engineering
Fluids Materials science Physical chemistry Computational intelligence Mechanical Engineering Fluid- and Aerodynamics Characterization and Evaluation of Materials Physical Chemistry Computational Intelligence |
| ISBN | 3-319-44866-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910254169203321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
50 Years of Structure and Bonding – The Anniversary Volume / / edited by D. Michael P. Mingos
| 50 Years of Structure and Bonding – The Anniversary Volume / / edited by D. Michael P. Mingos |
| Edizione | [1st ed. 2017.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 |
| Descrizione fisica | 1 online resource (VIII, 347 p. 100 illus., 64 illus. in color.) |
| Disciplina | 546 |
| Collana | Structure and Bonding |
| Soggetto topico |
Inorganic chemistry
Physical chemistry Chemistry, Physical and theoretical Inorganic Chemistry Physical Chemistry Theoretical and Computational Chemistry |
| ISBN | 3-319-35138-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Fullerene Based Materials -- Single Molecule Magnets and Related Phenomena -- Photofunctional Transition Metal Complexes -- High Energy Density Materials -- Recognition of Anions -- Functional Phthalocyanine Molecular Materials -- Molecular Catalysis of Rare Earth Elements -- Electron Density and Chemical Bonding -- Molecular Design and Inorganic Biochemistry -- Optical Spectra and Chemical Bonding in Inorganic Compounds. |
| Record Nr. | UNINA-9910254048003321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) [[electronic resource] ] : A Conference Selection from Theoretical Chemistry Accounts / / edited by Manuel F. Ruiz-Lopez, Francisco J. Olivares del Valle
| 9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) [[electronic resource] ] : A Conference Selection from Theoretical Chemistry Accounts / / edited by Manuel F. Ruiz-Lopez, Francisco J. Olivares del Valle |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (229 p.) |
| Disciplina | 540 |
| Collana | Highlights in theoretical chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical
Atomic structure Molecular structure Physical chemistry Theoretical and Computational Chemistry Atomic/Molecular Structure and Spectra Physical Chemistry |
| ISBN | 3-662-49221-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; Preface to the ESPA-2014 special issue; AMOEBA force field parameterization of the azabenzenes; 1 Introduction; 2 Computational details; 2.1 Quantum calculations; 2.2 Force field; 2.2.1 The AMOEBA formalism; 2.2.2 Details of AMOEBA calculations; 2.3 Parameterization; 2.4 Atomic multipoles; 3 Force field validation and refinement of vdW parameters; 3.1 Bonded interactions, force constants, and vibrational frequencies; 3.2 Molecular multipoles and electrostatic potential; 3.3 Intermolecular interactions; 4 Conclusions; 5 Supporting information; References
Triplet-singlet gap in structurally flexible organic diradicals1 Introduction; 2 Model systems; 2.1 Computational approach; 3 Results and discussion; 3.1 Local minima, isomers and enantiomers; 3.2 Triplet-singlet gaps; 4 Conclusions; References; Separating nuclear spin isomers using a pump-dump laser scheme; 1 Introduction; 2 Methods; 3 Results and discussion; 3.1 Pump process; 3.2 Dump process; 4 Conclusion; References; Spin delocalization in hydrogen chains described with the spin-partitioned total position-spread tensor; 1 Introduction; 2 General formalism: spin partition of TPS tensor 3 Computational details4 Results and discussions; 4.1 Equally spaced hydrogen chains; 4.2 Dimerized chains; 4.2.1 Fixed-bond dimerized hydrogen chains; 4.2.2 Homothetic dimerized hydrogen chains; 4.3 Asymptotic behavior of the longitudinal position-spread tensors; 5 Conclusions; References; Invariant time-dependent exchange perturbation theory and its application to the particles collision problem; 1 Introduction; 2 Exchange perturbation theory (EPT), time-dependent perturbation; 3 Perturbation theory to the first order; 4 Perturbation theory to the second and higher orders 5 S-scattering and T-matrix elements6 Collisions with exchange of electrons; 7 Scattering of proton by lithium atom with electron exchange; 8 Conclusions; Appendix 1; Appendix 2; Appendix 3; References; On the definition of molecular dynamic magnetizability; 1 Introduction; 2 Electromagnetic multipole moment operators and the interaction Hamiltonian; 3 Induced electric dipole moment; 4 Induced magnetic dipole moment; 5 Change of response properties and equivalence conditions in a translation of coordinates; 5.1 Magnitude of origin-shift vectors 5.2 Translation of frequency-dependent response tensors6 Variation of frequency-dependent moments in acoordinate translation; 7 Orders of magnitude; 8 Concluding remarks; References; Toward (car)borane-based molecular magnets; 1 Introduction; 1.1 The theoretical models; 1.1.1 Two magnetic sites system; 1.1.2 Three magnetic sites systems; 1.1.3 Four magnetic sites system; 2 Results and discussion; 3 Concluding remarks; References; Theoretical analysis of vibrational modes in uranyl aquo chloro complexes; 1 Introduction; 2 Computational aspects; 3 Results and discussion; 4 Conclusions References |
| Record Nr. | UNINA-9910254055303321 |
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
A Concise Course on the Theory of Classical Liquids [[electronic resource] ] : Basics and Selected Topics / / by Andrés Santos
| A Concise Course on the Theory of Classical Liquids [[electronic resource] ] : Basics and Selected Topics / / by Andrés Santos |
| Autore | Santos Andrés |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (XXX, 271 p. 124 illus., 94 illus. in color.) |
| Disciplina | 530.42 |
| Collana | Lecture Notes in Physics |
| Soggetto topico |
Amorphous substances
Complex fluids Statistical physics Dynamical systems Physical chemistry Thermodynamics Fluids Soft and Granular Matter, Complex Fluids and Microfluidics Complex Systems Physical Chemistry Fluid- and Aerodynamics Statistical Physics and Dynamical Systems |
| ISBN | 3-319-29668-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Foreword -- Preface -- Summary of Thermodynamic Potentials -- Summary of Equilibrium Statistical Ensembles -- Density Expansion of the Equation of State -- Spatial Correlation Functions and Thermodynamic Routes -- One-Dimensional Systems. Exact Solution for Nearest-Neighbor Interactions -- Density Expansion of the Radial Distribution Function. Approximate Integral Equations -- Exact Solution of the Percus–Yevick Approximation for Hard Spheres ... and Beyond -- Index -- References. |
| Record Nr. | UNISA-996466790803316 |
Santos Andrés
|
||
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
A Concise Course on the Theory of Classical Liquids : Basics and Selected Topics / / by Andrés Santos
| A Concise Course on the Theory of Classical Liquids : Basics and Selected Topics / / by Andrés Santos |
| Autore | Santos Andrés |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (XXX, 271 p. 124 illus., 94 illus. in color.) |
| Disciplina | 530.42 |
| Collana | Lecture Notes in Physics |
| Soggetto topico |
Amorphous substances
Complex fluids Statistical physics Dynamical systems Physical chemistry Thermodynamics Fluids Soft and Granular Matter, Complex Fluids and Microfluidics Complex Systems Physical Chemistry Fluid- and Aerodynamics Statistical Physics and Dynamical Systems |
| ISBN | 3-319-29668-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Foreword -- Preface -- Summary of Thermodynamic Potentials -- Summary of Equilibrium Statistical Ensembles -- Density Expansion of the Equation of State -- Spatial Correlation Functions and Thermodynamic Routes -- One-Dimensional Systems. Exact Solution for Nearest-Neighbor Interactions -- Density Expansion of the Radial Distribution Function. Approximate Integral Equations -- Exact Solution of the Percus–Yevick Approximation for Hard Spheres ... and Beyond -- Index -- References. |
| Record Nr. | UNINA-9910136928203321 |
|
Santos Andrés
|
||
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary
| A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary |
| Autore | Jobic Stephane |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (256 p.) |
| Soggetto topico |
Research & information: general
Chemistry Physical chemistry |
| Soggetto non controllato |
structure
bonding physical properties collective or localized electrons exchange integral p-magnetism boron sub-oxide interstitial atoms DFT DOS ELF charge density plots bifunctional catalyst hybrid catalyst oxygen reduction reaction oxygen evolution reaction four-electron pathway lithium ionic conductor perovskite structure solid electrolyte oxide lithium-sulfur batteries tungsten oxide nanowire interlayer thiosulfate mediator Keywords: spin exchange magnetic orbitals ligand p-orbital tails M-L-M exchange M-L...L-M exchange α-CuV2O6 LiCuVO4 (CuCl)LaNb2O7 Cu3(CO3)2(OH)2 spin Hamiltonian magnetism energy-mapping analysis four-state method Green's function method magnetic ground state spin exchange magnetic anisotropy molecular anion MPS3 qualitative rules batteries positive electrode vanadium phosphates covalent vanadyl bond mixed anion density functional theory quantum Monte Carlo fast Li+ ion conductor Li-ion battery spinel solid-state battery cathode-electrolyte interface indigo carmine solid polymer electrolyte solid state battery LMP® technology organic battery layered oxide cathodes alkali-alkali interactions electronic structure Li diffusion defect engineering perovskite electrolyte lithium-ion battery migration pathway anisotropic response cathode polyanion high-voltage |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566469803321 |
|
Jobic Stephane
|
||
| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Acid-Base Diagrams / / by Heike Kahlert, Fritz Scholz
| Acid-Base Diagrams / / by Heike Kahlert, Fritz Scholz |
| Autore | Kahlert Heike |
| Edizione | [1st ed. 2013.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2013 |
| Descrizione fisica | 1 online resource (144 p.) |
| Disciplina | 546.24 |
| Soggetto topico |
Analytical chemistry
Biochemistry Environmental chemistry Inorganic chemistry Physical chemistry Geochemistry Analytical Chemistry Biochemistry, general Environmental Chemistry Inorganic Chemistry Physical Chemistry |
| ISBN | 3-642-37902-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | The math behind the pH-logci diagrams -- Constructing pH-logci diagrams -- The application of pH-logci diagrams for graphical estimation of the pH of solutions and for the derivation of simplified equations -- The use of pH-logci diagrams for the construction of titration diagrams -- Titration errors. |
| Record Nr. | UNINA-9910437817803321 |
|
Kahlert Heike
|
||
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Activation and Catalytic Reactions of Saturated Hydrocarbons in the Presence of Metal Complexes [[electronic resource] /] / by A.E. Shilov, Georgiy B. Shul'pin
| Activation and Catalytic Reactions of Saturated Hydrocarbons in the Presence of Metal Complexes [[electronic resource] /] / by A.E. Shilov, Georgiy B. Shul'pin |
| Autore | Shilov A.E |
| Edizione | [1st ed. 2000.] |
| Pubbl/distr/stampa | Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2000 |
| Descrizione fisica | 1 online resource (551 p.) |
| Disciplina | 547/.4110459 |
| Collana | Catalysis by Metal Complexes |
| Soggetto topico |
Physical chemistry
Inorganic chemistry Organic chemistry Physical Chemistry Inorganic Chemistry Organic Chemistry |
| ISBN |
9786610204878
1-59124-820-5 1-280-20487-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Processes of C-H Bond Activation -- Hydrocarbon Transformations That do not Involve Metals or Their Compounds -- Heterogeneous Hydrocarbon Reactions with Participation of Solid Metals and Metal Oxides -- Activation of C-H Bonds by Low-valent Metal Complexes (“The Organometallic Chemistry”) -- Hydrocarbon Activation by Metal Ions, Atoms, and Complexes in the Gas Phase and in a Matrix -- Mechanisms of C-H Bond Splitting by Low-valent Metal Complexes -- Activation of Hydrocarbons by Platinum Complexes -- Hydrocarbon Reactions with High-valent Metal Complexes -- Homogeneous Catalytic Oxidation of Hydrocarbons by Molecular Oxygen -- Homogeneous Catalytic Oxidation of Hydrocarbons by Peroxides and Other Oxygen Atom Donors -- Oxidation in Living Cells and its Chemical Models. |
| Record Nr. | UNINA-9910454960903321 |
|
Shilov A.E
|
||
| Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Activation and Catalytic Reactions of Saturated Hydrocarbons in the Presence of Metal Complexes [[electronic resource] /] / by A.E. Shilov, Georgiy B. Shul'pin
| Activation and Catalytic Reactions of Saturated Hydrocarbons in the Presence of Metal Complexes [[electronic resource] /] / by A.E. Shilov, Georgiy B. Shul'pin |
| Autore | Shilov A.E |
| Edizione | [1st ed. 2000.] |
| Pubbl/distr/stampa | Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2000 |
| Descrizione fisica | 1 online resource (551 p.) |
| Disciplina | 547/.4110459 |
| Collana | Catalysis by Metal Complexes |
| Soggetto topico |
Physical chemistry
Inorganic chemistry Organic chemistry Physical Chemistry Inorganic Chemistry Organic Chemistry |
| ISBN |
9786610204878
1-59124-820-5 1-280-20487-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Processes of C-H Bond Activation -- Hydrocarbon Transformations That do not Involve Metals or Their Compounds -- Heterogeneous Hydrocarbon Reactions with Participation of Solid Metals and Metal Oxides -- Activation of C-H Bonds by Low-valent Metal Complexes (“The Organometallic Chemistry”) -- Hydrocarbon Activation by Metal Ions, Atoms, and Complexes in the Gas Phase and in a Matrix -- Mechanisms of C-H Bond Splitting by Low-valent Metal Complexes -- Activation of Hydrocarbons by Platinum Complexes -- Hydrocarbon Reactions with High-valent Metal Complexes -- Homogeneous Catalytic Oxidation of Hydrocarbons by Molecular Oxygen -- Homogeneous Catalytic Oxidation of Hydrocarbons by Peroxides and Other Oxygen Atom Donors -- Oxidation in Living Cells and its Chemical Models. |
| Record Nr. | UNINA-9910779960603321 |
|
Shilov A.E
|
||
| Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2000 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Soggetto topico
-
Physical chemistry
(635)
- Physical Chemistry (607)
- Physics (86)
- Chemistry, Physical and theoretical (77)
- Thermodynamics (77)