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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 
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
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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 Elementary particles (Physics)
Quantum field theory
Atomic structure  
Molecular structure 
Spectroscopy
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  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014
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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 Physical chemistry
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
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Advances in Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / / edited by Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas
Advances in Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / / edited by Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas
Edizione [1st ed. 2020.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020
Descrizione fisica 1 online resource (XVI, 469 p.)
Disciplina 541.28
Collana Progress in Theoretical Chemistry and Physics
Soggetto topico Chemistry, Physical and theoretical
Atomic structure  
Molecular structure 
Bioinformatics 
Computational biology 
Quantum physics
Theoretical and Computational Chemistry
Atomic/Molecular Structure and Spectra
Computer Appl. in Life Sciences
Quantum Physics
ISBN 3-030-34941-1
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Part 1: Exotic Atomic Systems -- Chapter 1. Advanced Relativistic Energy Approach in the Spectroscopy of Auto-ionization States of Multi-electron Atomic Systems (Alexander V. Glushkov ) -- Chapter 2. Relativistic Quantum Chemistry and Spectroscopy of Kaonic Atomic Systems with Accounting for Radiative and Strong Interaction Effects(O. Yu. Khetselius, V. B. Ternovsky, Y.V. Dubrovskaya, I.N. Serga,and A. A. Svinarenko) -- Chapter 3. Spectroscopy of Rydberg Atomic Systems in a Black-Body Radiation Field (Valentin B. Ternovsky, Alexander V. Glushkov, Anna A. Kuznetsova, and Andrey V. Tsudik) -- Chapter 4. Hyperfine and Electroweak Interactions in Heavy Finite Fermi Systems and Parity Non-conservation Effect(Olga Yu. Khetselius, Alexander V. Glushkov, Eugeny Ternovsky,Vasily V. Buyadzhi, and Aleksii L. Mykhailov ) -- Part 2: Clusters and Molecules Interactions -- Chapter 5.Quantum Study of Helium Clusters Doped with Electronically Excited Li, Na, K and Rb Atoms (David Dell’Angelo). – Chapter 6. A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)(Partricia R. P. Barreto, Ana Claudia P. S. Cruz, Henrique O. Euclides, Alessandra F. Albernaz, Federico Palazzetti, and Fernando Pirani) -- Chapter 7. A Theoretical Study on the Reaction between Chloroacetic Acid and Thiourea(Mwadham M. Kabanda and Kgalaletso P. Otukile ) -- Chapter 8. Density Functional Theory Studies of Ruthenium (N3) Dye Adsorbed on a TiO2 Brookite Nanocluster for Application to Dye Sensitized Solar Cells (I. F. Elegbeleye, N. E. Maluta, and R. R. Maphanga) -- Part 3: Biochemistry and Biophysics -- Chapter 9. Complexes of Furonewguinone-B with a Cu2+ Ion. A DFT Study (Liliana Mammino) -- Chapter 10. Computational Study of Shuangancistrotectorine-A: A Naphthyliso-quinoline Alkaloid with Antimalarial Activity(Mireille Bilonda and Liliana Mammino) -- Chapter 11. Ab initio and DFT Computational Study of Myristinin-A and a Structurally Related Molecule(Neani Tshilande and Liliana Mammino) -- Chapter 12.Current Problems in Computer Simulation of Variability of the Three-Dimensional Structure of DNA( V. Poltev, V.M. Anisimov1, V. Dominguez, A. Deriabina, E. Gonzalez, D. Garcia, V. Vázquez-Báez, F. Rivas) -- Part 4: Fundamental Theory -- Chapter 13. Efficient ‘Middle’ Thermostat Scheme for the Quantum / Classical Canonical Ensemble via Molecular Dynamics (Xinzijian Liu, Kangyu Yan, and Jian Liu) -- Chapter 14. Megascopic Quantum Phenomena: A Critical Study of Physical Interpretations (Michal Crvek) -- Chapter 15. Is Abiogenesis Supported by the Second Law of Thermodynamics? (Erkki J. Brändas) -- Chapter 16. Can Quantum Theory Concepts Shed Light on Biological Evolution Processes? (Jean Maruani).
Record Nr. UNINA-9910380724803321
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020
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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
Fleenor Bradley S  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015
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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
Spectroscopy
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
Balzarotti Adalberto  
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
Civiš Svatopluk  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020
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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 
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. UNINA-9910410003103321
Civiš Svatopluk  
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 physics
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
Bauche Jacques  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015
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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
Elementary particles (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
Landi Degl'Innocenti Egidio  
Milano : , : Springer Milan : , : Imprint : Springer, , 2014
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