Path-integral methods for non-adiabatic reaction rates

Path-integral methods for non-adiabatic reaction rates

<p>This thesis discusses recent progress in the development of path-integral methods for non-adiabatic reaction rates in large-scale atomistic simulations. Electronically non-adiabatic reactions are important in a wide range of phenomena, including electron transfer in DNA, enzymatic oxygenati...

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Bibliografiske detaljer
Hovedforfatter:	Lawrence, J
Andre forfattere:	Manolopoulos, D
Format:	Thesis
Sprog:	English
Udgivet:	2020
Fag:	Chemistry, Physical and theoretical

Lignende værker

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Velocity mapping of elementary bimolecular reactions
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Multi-mass imaging in chemical reaction dynamics
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Towards cold state-selected ion-molecule reactions
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Udgivet: (2014)

Reduced dimensionality quantum dynamics of chemical reactions
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Udgivet: (2011)

Developing a novel radical source for cold, controlled reaction studies
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Udgivet: (2024)

Inclusion of nuclear quantum effects in thermal conductivity prediction from path integral techniques
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Udgivet: (2022)

Towards the study of cold chemical reactions using Zeeman decelerated supersonic beams
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Udgivet: (2014)

Structure and reactions of simple organic compounds/
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Udgivet: (1966)

Inverse kinetic isotope effects in the charge transfer reactions of ammonia with rare gas ions
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Udgivet: (2021)

Displacement reactions at the sulfur atom
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Essentials of computational chemistry : theories and models /
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A working method approach for introductory physical chemistry calculations : numerical and graphical problem solving /
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Physical chemistry : methods, techniques, experiments /
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Experimental physical chemistry /
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Practical physical chemistry/
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International Union of Pure and Applied Chemistry. Division of Physical chemistry : Commission on Physicochemical Symbols, Terminology and symbols in physical chemistry /
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Udgivet: (1988)

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af: 4257 International Union of Pure and Applied Chemistry. Commission on Symbols, Terminology and Units
Udgivet: (1979)

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Quantities, units, and symbols in physical chemistry /
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C—C bond formation in the intramolecular Diels-Alder reaction of triene amides
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Udgivet: (1974)

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Inorganic reaction mechanisms
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Metal nanopartictes and related materials supported on carbon nanotubes: Methods and applications
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Udgivet: (2006)

Metal nanopartictes and related materials supported on carbon nanotubes: Methods and applications
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Physical chemistry with applications to biological systems /
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Breathing stones: developing laser-based spectroscopic methods to study moisture transport by historic limestone
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Udgivet: (2023)

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Udgivet: (1965)

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Udgivet: (1951)

Spin relaxation effects in photochemically induced dynamic nuclear polarization spectroscopy of nuclei with strongly anisotropic hyperfine couplings.
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Udgivet: (2007)

Determination of organic structures : physical methods /
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