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Molecular kinetics in condensed phases : theory, simulation, and analysis / / Ron Elber, Dmitrii E. Makarov, Henri Orland
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  
Hoboken, NJ : , : John Wiley & Sons Ltd., , 2020
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Molecular kinetics in condensed phases : theory, simulation, and analysis / / Ron Elber, Dmitrii E. Makarov, Henri Orland
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  
Hoboken, NJ : , : John Wiley & Sons Ltd., , 2020
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Recent advances in chemical kinetics / / edited by Muhammad Akhyar Farrukh
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
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Traveling wave solutions of parabolic systems / / Aizik I. Volpert, Vitaly A. Volpert, Vladimir A. Volpert
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)  
Providence, R.I. : , : American Mathematical Society, , [1994]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Traveling wave solutions of parabolic systems / / Aizik I. Volpert, Vitaly A. Volpert, Vladimir A. Volpert
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)  
Providence, R.I. : , : American Mathematical Society, , [1994]
Materiale a stampa
Lo trovi qui: Univ. di Salerno
Opac: Controlla la disponibilità qui