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Molecular catalysts : structure and functional design / / edited by Lutz H. Gade and Peter Hofmann
| Molecular catalysts : structure and functional design / / edited by Lutz H. Gade and Peter Hofmann |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH, , 2014 |
| Descrizione fisica | 1 online resource (528 pages) : illustrations |
| Disciplina | 660.2995 |
| Soggetto topico |
Catalysts - Industrial applications
Molecular structure Molecular dynamics |
| ISBN |
3-527-67329-6
3-527-67327-X 3-527-67330-X |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910820995803321 |
| Weinheim, Germany : , : Wiley-VCH, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular Dynamics [[electronic resource] /] / by Ruben Santamaria
| Molecular Dynamics [[electronic resource] /] / by Ruben Santamaria |
| Autore | Santamaria Ruben |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (389 pages) |
| Disciplina | 530 |
| Soggetto topico |
Atoms
Molecules Molecular dynamics Physical chemistry Mathematical physics Computer simulation Biophysics Atomic, Molecular and Chemical Physics Molecular Dynamics Physical Chemistry Computational Physics and Simulations |
| ISBN | 9783031370427 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part I - BASICS OF CLASSICAL MECHANICS -- Chapter 1: Principles of classical dynamics -- Chapter 2: Foundations of Newtonian dynamics -- Chapter 3: Many-particle systems -- Chapter 4: Mechanical descriptors -- Chapter 5: Rigid body -- Chapter 6: Analytical Mechanics -- Part 2 - BASICS OF QUANTUM MECHANICS -- Chapter 7: Wave-particle duality of matter -- Chapter 8: Quantization of the energy -- Chapter 9: Quantization of the angular momentum -- Chapter 10: Postulates of quantum mechanics -- Part 3 - FIRST-PRINCIPLES MOLECULAR DYNAMICS -- Chapter 11: Dynamics of electrons and nuclei -- Chapter 12: Classical limit of the nuclear motion -- Part 4 - CLASSICAL MOLECULAR DYNAMICS -- Chapter 13: Classical molecular dynamics -- Chapter 14: Extended systems -- Part 5: TIME EVOLUTION OPERATORS -- Chapter 15: Integrating the equations of motion. |
| Record Nr. | UNINA-9910799481303321 |
Santamaria Ruben
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular dynamics / / Alexander V. Vakhrushev, editor
| Molecular dynamics / / Alexander V. Vakhrushev, editor |
| Pubbl/distr/stampa | [Place of publication not identified] : , : IntechOpen, , [2018] |
| Descrizione fisica | 1 online resource (100 pages) : illustrations |
| Disciplina | 541.394 |
| Soggetto topico | Molecular dynamics |
| ISBN |
1-83881-503-1
1-78923-525-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910317804203321 |
| [Place of publication not identified] : , : IntechOpen, , [2018] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular Dynamics : Studies of Synthetic and Biological Macromolecules / / edited by Lichang Wang
| Molecular Dynamics : Studies of Synthetic and Biological Macromolecules / / edited by Lichang Wang |
| Pubbl/distr/stampa | Rijeka : , : IntechOpen, , 2012 |
| Descrizione fisica | 1 online resource (xi, 432 pages) : illustrations (some color) |
| Disciplina | 541.394 |
| Soggetto topico | Molecular dynamics |
| ISBN | 953-51-5271-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Molecular dynamics |
| Record Nr. | UNINA-9910317601603321 |
| Rijeka : , : IntechOpen, , 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular dynamics : theoretical developments and applications in nanotechnology and energy / / edited by Lichang Wang
| Molecular dynamics : theoretical developments and applications in nanotechnology and energy / / edited by Lichang Wang |
| Pubbl/distr/stampa | Rijeka, Croatia : , : InTech, , [2012] |
| Descrizione fisica | 1 online resource (438 pages) : illustrations |
| Disciplina | 541.394 |
| Soggetto topico | Molecular dynamics |
| ISBN | 953-51-4306-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Molecular dynamics |
| Record Nr. | UNINA-9910137722903321 |
| Rijeka, Croatia : , : InTech, , [2012] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular dynamics and complexity in catalysis and biocatalysis / / Marco Piumetti ; with contributions by Andrés Illanes and Nik Lygeros
| Molecular dynamics and complexity in catalysis and biocatalysis / / Marco Piumetti ; with contributions by Andrés Illanes and Nik Lygeros |
| Autore | Piumetti Marco |
| Pubbl/distr/stampa | Cham, Switzerland : , : Springer, , [2022] |
| Descrizione fisica | 1 online resource (154 pages) |
| Disciplina | 541.395 |
| Soggetto topico |
Catalysis
Molecular dynamics |
| ISBN | 3-030-88500-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910523809103321 |
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Piumetti Marco
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| Cham, Switzerland : , : Springer, , [2022] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular Dynamics Simulation / / Multidisciplinary Digital Publishing Institute
| Molecular Dynamics Simulation / / Multidisciplinary Digital Publishing Institute |
| Pubbl/distr/stampa | [Place of publication not identified] : , : MDPI - Multidisciplinary Digital Publishing Institute, , 2014 |
| Descrizione fisica | 1 online resource (628 pages) |
| Disciplina | 541.394 |
| Soggetto topico |
Molecular dynamics
Digital computer simulation |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910674360903321 |
| [Place of publication not identified] : , : MDPI - Multidisciplinary Digital Publishing Institute, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular dynamics simulation of the kinetic reaction of nickel and aluminum nanoparticles [[electronic resource] /] / Brian J. Henz and Takumi Hawa and Michael Zachariah
| Molecular dynamics simulation of the kinetic reaction of nickel and aluminum nanoparticles [[electronic resource] /] / Brian J. Henz and Takumi Hawa and Michael Zachariah |
| Autore | Henz Brian J |
| Pubbl/distr/stampa | Aberdeen Proving Ground, MD : , : Army Research Laboratory, , [2010] |
| Descrizione fisica | 1 online resource (vi, 28 pages) : color illustrations |
| Altri autori (Persone) |
HawaTakumi
ZachariahMichael |
| Collana | ARL-TR |
| Soggetto topico |
Nickel
Aluminum Molecular dynamics Nanoparticles |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910697126803321 |
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Henz Brian J
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| Aberdeen Proving Ground, MD : , : Army Research Laboratory, , [2010] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular energetics [[electronic resource] ] : condensed-phase thermochemical techniques / / Jose A. Martinho Simoes, Manuel E. Minas da Piedade
| Molecular energetics [[electronic resource] ] : condensed-phase thermochemical techniques / / Jose A. Martinho Simoes, Manuel E. Minas da Piedade |
| Autore | Simoes J. A. Martinho |
| Pubbl/distr/stampa | Oxford ; ; New York, : Oxford University Press, 2008 |
| Descrizione fisica | viii, 296 p. : ill |
| Disciplina | 541/.36 |
| Altri autori (Persone) | PiedadeM. E. Minas da (Manuel E. Minas) |
| Soggetto topico |
Condensed matter
Molecular dynamics Thermochemistry Thermodynamics |
| ISBN |
1-281-37459-8
0-19-756155-1 9786611374594 1-4356-5678-4 0-19-972285-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910795853503321 |
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Simoes J. A. Martinho
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| Oxford ; ; New York, : Oxford University Press, 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular energetics [[electronic resource] ] : condensed-phase thermochemical techniques / / Jose A. Martinho Simoes, Manuel E. Minas da Piedade
| Molecular energetics [[electronic resource] ] : condensed-phase thermochemical techniques / / Jose A. Martinho Simoes, Manuel E. Minas da Piedade |
| Autore | Simoes J. A. Martinho |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Oxford ; ; New York, : Oxford University Press, 2008 |
| Descrizione fisica | viii, 296 p. : ill |
| Disciplina | 541/.36 |
| Altri autori (Persone) | PiedadeM. E. Minas da (Manuel E. Minas) |
| Soggetto topico |
Condensed matter
Molecular dynamics Thermochemistry Thermodynamics |
| ISBN |
1-281-37459-8
0-19-756155-1 9786611374594 1-4356-5678-4 0-19-972285-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Cover -- Title Page -- Copyright Page -- Preface -- Contents -- Part I: Introduction -- 1 Thermochemistry and Molecular Energetics -- 2 The Thermodynamic Background -- 2.9 The Gibbs Energy: First and Second Law Methods -- 3 The Kinetic Background -- 4 Gas-Phase Ion Energetics -- 5 Bond Energies -- References to Part I -- Part II: Condensed Phase Methods -- 6 Overview of Condensed Phase Methods -- 7 Combustion Calorimetry -- 8 Isoperibol Reaction-Solution Calorimetry -- 9 Heat Flow Calorimetry -- 10 Photocalorimetry -- 11 Titration Calorimetry -- 11.2 Heat Flow Titration Calorimetry -- 12 Differential Scanning Calorimetry (DSC) -- 12.1 Thermodynamic Data from DSC Experiments -- 13 Photoacoustic Calorimetry -- 14 Equilibrium in Solution -- 15 Kinetics in Solution -- 16 Electrochemical Measurements -- References to Part II -- Appendix A: Units, Conversion Factors, and Fundamental Constants -- Appendix B: Thermochemical Databases -- Index. |
| Record Nr. | UNINA-9910807188503321 |
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Simoes J. A. Martinho
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| Oxford ; ; New York, : Oxford University Press, 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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