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9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) : 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) : 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 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 | ||
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Accurate Calibration of Raman Systems : At the Karlsruhe Tritium Neutrino Experiment / / by Magnus Schlösser
| Accurate Calibration of Raman Systems : At the Karlsruhe Tritium Neutrino Experiment / / by Magnus Schlösser |
| Autore | Schlösser Magnus |
| Edizione | [1st ed. 2014.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014 |
| Descrizione fisica | 1 online resource (226 p.) |
| Disciplina | 535.846 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Particles (Nuclear physics)
Quantum field theory Atomic structure Molecular structure Spectrum analysis Microscopy Elementary Particles, Quantum Field Theory Atomic/Molecular Structure and Spectra Spectroscopy and Microscopy |
| ISBN | 3-319-06221-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- The KATRIN Experiment -- Theory of Quantitative Raman spectroscopy -- Experimental Setup -- Calibration Based on Theoretical Intensities and Spectral Sensitivity -- Calibration Based on Accurate Gas Samples -- Comparison of Calibration Methods -- Summary and Outlook -- Appendix A Statistical Terms -- Appendix B Complete Derivation of Integration Formula for Depolarization Measurements -- Appendix C Jones Calculations for Polarization Aberrations in the Raman Collection System -- Appendix D Measurements of Polarization Aberrations in Raman Cell Windows -- Appendix D Error Estimation in Depolarization Ratio Measurements -- Appendix F Relation Between Experimental Error of Raman Intensities and Depolarization Ratios -- Appendix H Demonstration of Bootstrapping on HYDE Data -- Appendix I Publications. |
| Record Nr. | UNINA-9910300396803321 |
Schlösser Magnus
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advanced Time-Correlated Single Photon Counting Applications / / edited by Wolfgang Becker
| Advanced Time-Correlated Single Photon Counting Applications / / edited by Wolfgang Becker |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (639 p.) |
| Disciplina | 539.7217 |
| Collana | Springer Series in Chemical Physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Optics Electrodynamics Atomic structure Molecular structure Physical measurements Measurement Signal processing Image processing Speech processing systems Physical Chemistry Classical Electrodynamics Atomic/Molecular Structure and Spectra Measurement Science and Instrumentation Signal, Image and Speech Processing |
| ISBN | 3-319-14929-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction into TCSPC -- Clinical and Preclinical Application of TCSPC -- Protein Structure and Protein Interaction -- NADH Dynamics -- Measurement of Local Environment Parameters in Biological Systems -- Oxygen Concentration Measurement in Biological tissue by Phosophorescence Lifetime Measurement. |
| Record Nr. | UNINA-9910298613003321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Arterial Stiffness : Implications and Interventions / / by Bradley S. Fleenor, Adam J. Berrones
| Arterial Stiffness : Implications and Interventions / / by Bradley S. Fleenor, Adam J. Berrones |
| Autore | Fleenor Bradley S |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (67 p.) |
| Disciplina | 616.136 |
| Collana | SpringerBriefs in Physiology |
| Soggetto topico |
Human physiology
Atomic structure Molecular structure Molecular biology Cardiology Health promotion Angiology Human Physiology Atomic/Molecular Structure and Spectra Molecular Medicine Health Promotion and Disease Prevention |
| ISBN | 3-319-24844-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Preface -- 1. Overview of Arterial Stiffness -- 2. Mechanisms of Arterial Stiffness -- 3. Implications of Arterial Stiffness -- 4. Interventions to Destiffen Arteries -- Index. |
| Record Nr. | UNINA-9910298269703321 |
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Fleenor Bradley S
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomi, Molecole e Solidi : Esercizi Risolti / / by Adalberto Balzarotti, Michele Cini, Massimo Fanfoni
| Atomi, Molecole e Solidi : Esercizi Risolti / / by Adalberto Balzarotti, Michele Cini, Massimo Fanfoni |
| Autore | Balzarotti Adalberto |
| Edizione | [2nd ed. 2015.] |
| Pubbl/distr/stampa | Milano : , : Springer Milan : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (XI, 359 pagg. 48 figg.) |
| Disciplina | 530 |
| Collana | UNITEXT for Physics |
| Soggetto topico |
Physics
Atoms Atomic structure Molecular structure Condensed matter Solid state physics Spectrum analysis Microscopy Physics, general Atomic, Molecular, Optical and Plasma Physics Atomic/Molecular Structure and Spectra Condensed Matter Physics Solid State Physics Spectroscopy and Microscopy |
| ISBN | 88-470-5702-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | ita |
| Nota di contenuto | 1 Fisica atomica -- 2 Fisica molecolare -- 3 Fisica dei solidi -- A.1 Lista dei simboli più usati -- A.2 Unità atomiche -- A.3 Metodo variazionale lineare -- A.4 Teoria delle perturbazioni (caso non degenere) -- A.5 Sviluppo in serie del potenziale Coulombiano in armoniche sferiche -- A.6 Teorema dell’addizione delle armoniche sferiche -- A.7 Simmetrie degli integrali Coulombiano e di scambio -- A.8 Elementi di matrice tra stati determinantali di operatori ad uno o due corpi -- A.9 Accoppiamento di due elettroni p: casi n1 pn2 p e p2 -- A.10 Trasformazione di Galileo -- A.11 Frazione di carica sul sito per un gas di elettroni -- A.12 Teorema di Floquet-Bloch -- A.13 Fattore di struttura (Sistema cristallino cubico) -- A.14 Costanti fondamentali -- A.15 Integrali notevoli -- A.16 Configurazione elettronica degli atomi -- Testi consigliati -- Indice Analitico. |
| Record Nr. | UNINA-9910392723403321 |
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Balzarotti Adalberto
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| Milano : , : Springer Milan : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range [[electronic resource] /] / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti
| Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range [[electronic resource] /] / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti |
| Autore | Civiš Svatopluk |
| Edizione | [1st ed. 2020.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (158 pages) |
| Disciplina | 543.52 |
| Collana | Springer Series in Chemical Physics |
| Soggetto topico |
Atomic structure
Molecular structure Spectroscopy Microscopy Astronomy Astrophysics Physical chemistry Atomic/Molecular Structure and Spectra Spectroscopy/Spectrometry Spectroscopy and Microscopy Astronomy, Astrophysics and Cosmology Physical Chemistry |
| ISBN | 3-030-47352-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1 - Introduction -- Chapter 2- Experimental setup and spectral analysis -- Chapter 3 - Spectra -- Chapter 4 - Conclusion. |
| Record Nr. | UNISA-996418179203316 |
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Civiš Svatopluk
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
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Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range / / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti
| Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range / / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti |
| Autore | Civiš Svatopluk |
| Edizione | [1st ed. 2020.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (158 pages) |
| Disciplina | 543.52 |
| Collana | Springer Series in Chemical Physics |
| Soggetto topico |
Atomic structure
Molecular structure Spectrum analysis Microscopy Astronomy Astrophysics Chemistry, Physical and theoretical Atomic/Molecular Structure and Spectra Spectroscopy/Spectrometry Spectroscopy and Microscopy Astronomy, Astrophysics and Cosmology Physical Chemistry |
| ISBN | 3-030-47352-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1 - Introduction -- Chapter 2- Experimental setup and spectral analysis -- Chapter 3 - Spectra -- Chapter 4 - Conclusion. |
| Record Nr. | UNINA-9910410003103321 |
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Civiš Svatopluk
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomic Properties in Hot Plasmas : From Levels to Superconfigurations / / by Jacques Bauche, Claire Bauche-Arnoult, Olivier Peyrusse
| Atomic Properties in Hot Plasmas : From Levels to Superconfigurations / / by Jacques Bauche, Claire Bauche-Arnoult, Olivier Peyrusse |
| Autore | Bauche Jacques |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (386 p.) |
| Disciplina | 530 |
| Soggetto topico |
Plasma (Ionized gases)
Nuclear energy Atomic structure Molecular structure Physics Quantum theory Plasma Physics Nuclear Energy Atomic/Molecular Structure and Spectra Mathematical Methods in Physics Quantum Physics |
| ISBN | 3-319-18147-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Preface -- Abbreviations -- Introduction -- The Central-Field Configurational Model -- Distribution Functions. Energy Levels -- Statistical Properties of Transition Arrays -- Modeling of Ionic Spectra -- Static and Dynamical Equilibrium in Plasmas -- Super Configurations and Super Transition Arrays -- Global Approach to Plasmas in LTE Equilibrium -- Global Approaches to Non-LTE Hot Dense Plasmas. Effective Temperatures -- Hybrid Models -- Plasma Simulations -- Applications to Hot-Plasma Radiation -- Appendix A – The Tensor-Operator Formalism -- Appendix B – The Second-Quantization Method for Electrons in Atoms -- Appendix C – Partition Function Algebra -- Appendix D – Analytical Evaluation of the Ionic-Excitation Temperature T(I) -- Appendix E – Evaluation of the Radiative Power Losses of a Superconfiguration -- Subject index. |
| Record Nr. | UNINA-9910300405903321 |
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Bauche Jacques
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomic Spectroscopy and Radiative Processes / / by Egidio Landi Degl'Innocenti
| Atomic Spectroscopy and Radiative Processes / / by Egidio Landi Degl'Innocenti |
| Autore | Landi Degl'Innocenti Egidio |
| Edizione | [1st ed. 2014.] |
| Pubbl/distr/stampa | Milano : , : Springer Milan : , : Imprint : Springer, , 2014 |
| Descrizione fisica | 1 online resource (432 p.) |
| Disciplina | 539.7 |
| Collana | UNITEXT for Physics |
| Soggetto topico |
Astrophysics
Atomic structure Molecular structure Particle acceleration Particles (Nuclear physics) Quantum field theory Space sciences Astrophysics and Astroparticles Atomic/Molecular Structure and Spectra Particle Acceleration and Detection, Beam Physics Elementary Particles, Quantum Field Theory Space Sciences (including Extraterrestrial Physics, Space Exploration and Astronautics) |
| ISBN | 88-470-2808-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | General laws of the electromagnetic field -- Spectrum and polarisation -- Radiation from moving charges -- Quantisation of the electromagnetic field -- Relativistic wave equations -- Atoms with a single valence electron -- Atoms with multiple valence electrons -- Term energies -- More details on the spectra -- Laws of thermodynamic equilibrium -- Interaction between matter and radiation -- Selection rules and line strengths -- Non-equilibrium plasmas -- Radiative transfer -- Second order processes. |
| Record Nr. | UNINA-9910300372303321 |
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Landi Degl'Innocenti Egidio
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| Milano : , : Springer Milan : , : Imprint : Springer, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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The Attribute of Water : Single Notion, Multiple Myths / / by Chang Q Sun, Yi Sun
| The Attribute of Water : Single Notion, Multiple Myths / / by Chang Q Sun, Yi Sun |
| Autore | Sun Chang Q |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Singapore : , : Springer Singapore : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (510 p.) |
| Disciplina | 530 |
| Collana | Springer Series in Chemical Physics |
| Soggetto topico |
Atomic structure
Molecular structure Water Nanotechnology Atomic/Molecular Structure and Spectra Water, general |
| ISBN | 981-10-0180-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Wonders of Water -- Water Structure -- O:H-O Bond Cooperativity -- Phase Diagram: Bonding Dynamics -- O:H-O Bond Asymmetrical Potentials -- Mechanical Compression -- Thermal Excitation -- Molecular Undercoordination: Supersolidity -- Superlubricity of Ice -- Water Supersolid Skin -- Mpemba Paradox -- Aqueous Solution Point Controllers -- Hydration Shells versus Water Skin -- Aqueous Solution Phase Transition -- Water Floating Bridge -- Miscellaneous Issues -- Approaching Strategies -- Laws for Water. |
| Record Nr. | UNINA-9910254637403321 |
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Sun Chang Q
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| Singapore : , : Springer Singapore : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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