Molecular kinetics in condensed phases : theory, simulation, and analysis /: theory, simulation, and analysis. (2020)

• Record Type: Book
• Further Information: Note: Ron Elber, Dmitrii E Makarov, Henri Orland.
• Authors: Elber, Ron; Makarov, Dmitrii E; Orland, Henri
• Contents: 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.
• Publisher Details: Hoboken, NJ : Wiley
• Publication Date: 2020
• Extent: 1 online resource
• Subjects: 541/.394; Chemical kinetics -- Mathematical models; Stochastic processes -- Mathematical models; Molecular structure; Molecular theory; SCIENCE -- Chemistry -- Physical & Theoretical; Chemical kinetics -- Mathematical models; Molecular structure; Molecular theory; Stochastic processes -- Mathematical models; Electronic books
• Languages: English
• ISBNs: 9781119176794; 1119176794; 9781119176787; 1119176786; 9781119176800; 1119176808
• Related ISBNs: 9781119176770; 1119176778
• Notes: Note: Includes bibliographical references and index.; Note: Description based on print version record.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.