Molecular kinetics in condensed phases : theory, simulation, and analysis / / Ron Elber, Dmitrii E. Makarov, Henri Orland |
Autore | Elber Ron |
Pubbl/distr/stampa | Hoboken, NJ : , : John Wiley & Sons Ltd., , 2020 |
Descrizione fisica | 1 online resource (292 pages) : illustrations |
Disciplina | 541.394 |
Soggetto topico |
Chemical kinetics - Mathematical models
Stochastic processes - Mathematical models Molecular structure |
ISBN |
1-119-17679-4
1-119-17678-6 1-119-17680-8 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910555067203321 |
Elber Ron
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Hoboken, NJ : , : John Wiley & Sons Ltd., , 2020 | ||
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Lo trovi qui: Univ. Federico II | ||
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Molecular kinetics in condensed phases : theory, simulation, and analysis / / Ron Elber, Dmitrii E. Makarov, Henri Orland |
Autore | Elber Ron |
Pubbl/distr/stampa | Hoboken, NJ : , : John Wiley & Sons Ltd., , 2020 |
Descrizione fisica | 1 online resource (292 pages) : illustrations |
Disciplina | 541.394 |
Soggetto topico |
Chemical kinetics - Mathematical models
Stochastic processes - Mathematical models Molecular structure |
ISBN |
1-119-17679-4
1-119-17678-6 1-119-17680-8 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | The Langevin equation and stochastic processes -- The Fokker-Planck equation -- The Schrödinger representation -- Discrete systems : the master equation and kinetic Monte Carlo -- Path integrals -- Barrier crossing -- Sampling transition paths -- The rate of conformational change : definition and computation -- Zwanzig-Caldeiga-Leggett model for low-dimensional dynamics -- Escape from a potential well in the case of dynamics obeying the generalized Langevin equation : general solution based on the Zwanzig-Caldeira-Leggett Hamiltonian -- Diffusive dynamics on a multidimensional energy landscape -- Quantum effects in chemical kinetics -- Computer simulations of molecular kinetics : foundation -- The master equation as a model for transitions between macrostates -- Direct calculation of rate coefficients with computer simulations -- A simple numerical example of rate calculations -- Rare events and reaction coordinates -- Celling -- An example of the use of cells : alanine dipeptide. |
Record Nr. | UNINA-9910830048103321 |
Elber Ron
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Hoboken, NJ : , : John Wiley & Sons Ltd., , 2020 | ||
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Lo trovi qui: Univ. Federico II | ||
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Recent advances in chemical kinetics / / edited by Muhammad Akhyar Farrukh |
Pubbl/distr/stampa | London : , : IntechOpen, , 2022 |
Descrizione fisica | 1 online resource (116 pages) |
Disciplina | 541.394 |
Soggetto topico |
Chemical kinetics - Mathematical models
Chemical reaction, Conditions and laws of |
ISBN | 1-80355-226-3 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | 1. Solvent Catalysis in the Sensitizer-Mediator Redox Kinetics -- 2. Process Intensification in the Customized Flow Reactors -- 3. Catalytic Behavior of Extended π-Conjugation in the Kinetics of Sensitizer-Mediator Interaction -- 4. The Kinetics of Autoxidation in Wine -- 5. The ESIPT-Steered Molecular Chameleon for Cations and Anions Based on Alizarin and Alizarin-S: A Comparative Study -- 6. Perspective Chapter: Slowing Down the "Internal Clocks" of Atoms - A Novel Way to Increase Time Resolution in Time-Resolved Experiments through Relativistic Time Dilation. |
Record Nr. | UNINA-9910633962203321 |
London : , : IntechOpen, , 2022 | ||
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Lo trovi qui: Univ. Federico II | ||
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Traveling wave solutions of parabolic systems / / Aizik I. Volpert, Vitaly A. Volpert, Vladimir A. Volpert |
Autore | Volpert Aizik (Aizik Isaakovich) |
Pubbl/distr/stampa | Providence, R.I. : , : American Mathematical Society, , [1994] |
Descrizione fisica | 1 online resource (xii, 448 pages) |
Disciplina | 515/.353 |
Collana | Translations of Mathematical Monographs |
Soggetto topico |
Differential equations, Parabolic
Differential equations, Nonlinear Chemical kinetics - Mathematical models |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910146554403321 |
Volpert Aizik (Aizik Isaakovich)
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Providence, R.I. : , : American Mathematical Society, , [1994] | ||
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Lo trovi qui: Univ. Federico II | ||
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Traveling wave solutions of parabolic systems / / Aizik I. Volpert, Vitaly A. Volpert, Vladimir A. Volpert |
Autore | Volpert Aizik (Aizik Isaakovich) |
Pubbl/distr/stampa | Providence, R.I. : , : American Mathematical Society, , [1994] |
Descrizione fisica | 1 online resource (xii, 448 pages) |
Disciplina | 515/.353 |
Collana | Translations of Mathematical Monographs |
Soggetto topico |
Differential equations, Parabolic
Differential equations, Nonlinear Chemical kinetics - Mathematical models |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNISA-996320720903316 |
Volpert Aizik (Aizik Isaakovich)
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Providence, R.I. : , : American Mathematical Society, , [1994] | ||
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Lo trovi qui: Univ. di Salerno | ||
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