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.
36. Congresso Nazionale di chimica fisica : Gallipoli (Italy), 17-22 giugno 2007 / [a cura della] Associazione italiana di chimica fisica, Società Chimica italiana, Divisione di Chimica Fisica
| 36. Congresso Nazionale di chimica fisica : Gallipoli (Italy), 17-22 giugno 2007 / [a cura della] Associazione italiana di chimica fisica, Società Chimica italiana, Divisione di Chimica Fisica |
| Autore | Congresso Nazionale di Chimica Fisica (36th : 2007 : Gallipoli, Italy) |
| Pubbl/distr/stampa | Bucharest : Theta Foundation, c1997 |
| Descrizione fisica | 141 p. : ill. ; 26 cm |
| Disciplina | 541.3 |
| Altri autori (Enti) |
Associazione italiana di Chimica Fisicaauthor
Società Chimica Italiana.Divisione di Chimica Fisica |
| Soggetto topico | Chemistry, Physical and theoretical |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | mul |
| Record Nr. | UNISALENTO-991000591759707536 |
Congresso Nazionale di Chimica Fisica (36th : 2007 : Gallipoli, Italy)
|
||
| Bucharest : Theta Foundation, c1997 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Salento | ||
| ||
50 Years of Structure and Bonding – The Anniversary Volume [[electronic resource] /] / edited by D. Michael P. Mingos
| 50 Years of Structure and Bonding – The Anniversary Volume [[electronic resource] /] / 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 | ||
| ||
8th Congress on Electronic Structure : Principles and Applications (ESPA 2012) : a conference selection from theoretical chemistry accounts / / Juan J. Novoa, Manuel F. Ruiz-Lopez, volume editors ; with contributions from Manuel Alcami [and eighty-four others]
| 8th Congress on Electronic Structure : Principles and Applications (ESPA 2012) : a conference selection from theoretical chemistry accounts / / Juan J. Novoa, Manuel F. Ruiz-Lopez, volume editors ; with contributions from Manuel Alcami [and eighty-four others] |
| Edizione | [1st ed. 2014.] |
| Pubbl/distr/stampa | Heidelberg, Germany : , : Springer, , 2014 |
| Descrizione fisica | 1 online resource (vi, 230 pages) : illustrations (chiefly color) |
| Disciplina |
530.4
541.2 |
| Collana | Highlights in Theoretical Chemistry |
| Soggetto topico |
Electronic structure
Chemistry, Physical and theoretical |
| ISBN | 3-642-41272-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | From the Contents: Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces -- First-principles study of structure and stability in Si–C–O-based materials -- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein -- Preface to the ESPA-2012 special issue. |
| Record Nr. | UNINA-9910298533203321 |
| Heidelberg, Germany : , : Springer, , 2014 | ||
| 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 | ||
| ||
Acoustic Cavitation and Bubble Dynamics [[electronic resource] /] / by Kyuichi Yasui
| Acoustic Cavitation and Bubble Dynamics [[electronic resource] /] / by Kyuichi Yasui |
| Autore | Yasui Kyuichi |
| Edizione | [1st ed. 2018.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 |
| Descrizione fisica | 1 online resource (VIII, 124 p. 84 illus.) |
| Disciplina | 530.4275 |
| Collana | Ultrasound and Sonochemistry |
| Soggetto topico |
Chemometrics
Chemistry, Physical and theoretical Acoustics Fluid mechanics Math. Applications in Chemistry Theoretical and Computational Chemistry Engineering Fluid Dynamics |
| ISBN | 3-319-68237-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Acoustic Cavitation -- Bubble Dynamics -- Unsolved Problems. |
| Record Nr. | UNINA-9910298589103321 |
|
Yasui Kyuichi
|
||
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
ACS physical chemistry Au
| ACS physical chemistry Au |
| Pubbl/distr/stampa | Washington, DC ; ; [Columbus, OH] : , : American Chemical Society, , [2021]- |
| Disciplina | 541 |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry, Physical |
| Soggetto genere / forma |
Periodical
Periodicals. |
| ISSN | 2694-2445 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti |
Physical chemistry Au
American Chemical Society physical chemistry Au |
| Record Nr. | UNINA-9910510590403321 |
| Washington, DC ; ; [Columbus, OH] : , : American Chemical Society, , [2021]- | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
ACS physical chemistry Au
| ACS physical chemistry Au |
| Pubbl/distr/stampa | Washington, DC ; ; [Columbus, OH] : , : American Chemical Society, , [2021]- |
| Disciplina | 541 |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry, Physical |
| Soggetto genere / forma |
Periodical
Periodicals. |
| ISSN | 2694-2445 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti |
Physical chemistry Au
American Chemical Society physical chemistry Au |
| Record Nr. | UNISA-996456650703316 |
| Washington, DC ; ; [Columbus, OH] : , : American Chemical Society, , [2021]- | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Acta Physico-Chimica Sinica/#/Acta Physico-Chimica Sinica [[Wu Li Hua Hsueh Hsueh Pao]]
| Acta Physico-Chimica Sinica/#/Acta Physico-Chimica Sinica [[Wu Li Hua Hsueh Hsueh Pao]] |
| Pubbl/distr/stampa | Beijing, : "Wu li hua xue xue bao" bian ji bu |
| Descrizione fisica | 1 online resource |
| Soggetto topico | Chemistry, Physical and theoretical |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | chi |
| Record Nr. | UNINA-9910139374003321 |
| Beijing, : "Wu li hua xue xue bao" bian ji bu | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advance in Structural Bioinformatics [[electronic resource] /] / edited by Dongqing Wei, Qin Xu, Tangzhen Zhao, Hao Dai
| Advance in Structural Bioinformatics [[electronic resource] /] / edited by Dongqing Wei, Qin Xu, Tangzhen Zhao, Hao Dai |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (380 p.) |
| Disciplina | 572 |
| Collana | Advances in Experimental Medicine and Biology |
| Soggetto topico |
Bioinformatics
Molecular biology Enzymology Chemistry, Physical and theoretical Computational Biology/Bioinformatics Molecular Medicine Theoretical and Computational Chemistry |
| ISBN | 94-017-9245-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction to Structural Bioinformatics -- Modeling and Structure Determination -- The Structure Prediction of Biological Macromolecules -- The Biological Macromolecules in Computational Biology -- The Functional Analysis of Biological Macromolecules -- The Structure-Based Drug Design. |
| Record Nr. | UNINA-9910298290103321 |
| Dordrecht : , : Springer Netherlands : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Advanced Computing in Industrial Mathematics [[electronic resource] ] : 11th Annual Meeting of the Bulgarian Section of SIAM December 20-22, 2016, Sofia, Bulgaria. Revised Selected Papers / / edited by Krassimir Georgiev, Michail Todorov, Ivan Georgiev
| Advanced Computing in Industrial Mathematics [[electronic resource] ] : 11th Annual Meeting of the Bulgarian Section of SIAM December 20-22, 2016, Sofia, Bulgaria. Revised Selected Papers / / edited by Krassimir Georgiev, Michail Todorov, Ivan Georgiev |
| Edizione | [1st ed. 2018.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 |
| Descrizione fisica | 1 online resource (VIII, 227 p. 61 illus., 42 illus. in color.) |
| Disciplina | 510 |
| Collana | Studies in Computational Intelligence |
| Soggetto topico |
Computational intelligence
Artificial intelligence Mathematical models Chemistry, Physical and theoretical Computational Intelligence Artificial Intelligence Mathematical Modeling and Industrial Mathematics Theoretical and Computational Chemistry |
| ISBN | 3-319-65530-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Local Perturbation Analysis Of The Stochastic Matrix Riccati Equation With Applications In Finance -- An Embedded Compact Scheme For Biharmonic Problems In Irregular Domains -- Ant Colony Optimization Algorithm For 1D Cutting Stock Problem -- 2D Optimal Cutting Problem -- Error Estimate In The Iterative Numerical Method For Two-Dimensional Nonlinear Hammerstein-Fredholm Fuzzy Functional Integral Equations -- Noise Removal And Feature Extraction Of 2D CT Radiographic Images -- Representation Of Civilians And Police Officers By Generalized Nets For Describing Software Agents In The Case Of Protest -- Comparison Of NDT Techniques For Elastic Modulus Determination Of Laminated Composites -- Integer Codes For Flash Memories -- On The Strong Asymptotics Of Rows Of The Pade Table -- Total Phosphorus Removal In Horizontal Subsurface Flow Constructed Wetlands: A Computational Investigation For The Optimal Adsorption Model -- Some Results Involving Euler-Type Integrals And Dilogarithm Values -- Nonlinear Evolution Equation For Propagation Of Waves In An Artery With An Aneurysm: An Exact Solution Obtained By The Modified Method Of Simplest Equation -- Modelling Of Light Mg And Al Based Alloys As "In Situ" Composites -- Asymptotic Study Of The Nonlinear Velocity Problem For The Oscillatory Non-Newtonian Flow In A Straight Channel -- Competition For Resources And Space Contributes To The Emergence Of Drug Resistance In Cancer -- Efficient Error Based Metrics For Fuzzy-Neural Network Performance Evaluation -- Box Model Of Migration In Channels Of Migration Networks -- Modified Coordinates In Dynamics Simulation Of Multibody Systems With Elastic Bodies. |
| Record Nr. | UNINA-9910299880403321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Soggetto topico
-
Chemistry, Physical and theoretical
(1191)
- Chemistry (232)
- Theoretical and Computational Chemistry (232)
- Photochemistry (92)
- Stereochemistry (90)