WorldCat Identities

Marcus, Rudolph A.

Overview
Works: 21 works in 27 publications in 2 languages and 131 library holdings
Genres: Conference proceedings  Bibliography  Biography 
Roles: Editor, Author, Thesis advisor, Other, Translator
Classifications: QH505, 574.1924
Publication Timeline
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Most widely held works by Rudolph A Marcus
Quantum tunnelling in enzyme-catalysed reactions ( )
2 editions published in 2009 in English and held by 50 WorldCat member libraries worldwide
This accessible introduction to modern theories of enzyme catalysis presents the latest methods for studying quantum tunnelling in biological systems, In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced researchers those new to the subject. Edited by two leading experts, and bringing together the foremost practitioners in the field, this up-to-date account of a rapidly developing field sits at the interface between biology, chemistry and physics. It covers computational, kinetic and structural analysis of tunnelling and the synergy in combining these methods (with a major focus on H-tunneling reactions in enzyme systems). The book starts with a brief overview of proton and electron transfer history by Nobel Laureate, Rudolph A. Marcus. The reader is then guided through chapters covering almost every aspect of reactions in enzyme catalysis ranging from descriptions of the relevant quantum theory and quantum/classical theoretical methodology to the description of experimental results. The theoretical interpretation of these large systems includes both quantum mechanical and statistical mechanical computations, as well as simple more approximate models. Most of the chapters focus on enzymatic catalysis of hydride, proton and H" transfer, an example of the latter being proton coupled electron transfer. There is also a chapter on electron transfer in proteins. This is timely since the theoretical framework developed fifty years ago for treating electron transfers has now been adapted to H-transfers and electron transfers in proteins. Accessible in style, this book is suitable for a wide audience but will be particularly useful to advanced level undergraduates, postgraduates and early postdoctoral workers
Intramolecular motion and chemical reaction : proceedings of a Royal Society Discussion Meeting, held on 14 and 15 February 1990 by Royal Collection (Great Britain)( Book )
1 edition published in 1990 in English and held by 35 WorldCat member libraries worldwide
Tunneling in biological systems by Britton Chance( )
1 edition published in 1979 in English and held by 23 WorldCat member libraries worldwide
Theory of ozone isotopic effects and various electron transfer reactions by Yi Qin Gao( )
2 editions published in 2001 in English and held by 3 WorldCat member libraries worldwide
Three separate topics, each stimulated by experiments, are treated theoretically in this dessertation: isotopic effects of ozone, electron transfer at interfaces, and intramolecular directional electron transfer in a supramolecular system. The strange mass-independent isotope effect for the enrichment of ozone, which has been a puzzle in the literature for some 20 years, and the equally puzzling unconventional strong mass-dependent effect of individual reaction rate constants are studied as different aspects of a symmetry-driven behavior. A statistical (RRKM-based) theory with a hindered-rotor transition state is used. The individual rate constant ratios of recombination reactions at low pressures are calculated using the theory involving (1) small deviation from the statistical density of states for symmetric isotopomers, and (2) weak collisions for deactivation of the vibrationally excited ozone molecules. The weak collision and partitioning among exit channels play major roles in producing the large unconventional isotope effect in "unscrambled" systems. The enrichment studies reflect instead the non-statistical effect in "scrambled" systems. The theoretical results of low-pressure ozone enrichments and individual rate constant ratios obtained from these calculations are consistent with the corresponding experimental results. The isotopic exchange rate constant for the reaction ^(16)O + ^(18)O ^(18)O→+ ^(16)O ^(18)O + ^(18)O provides information on the nature of a variationally determined hindered-rotor transition state using experimental data at 130 K and 300 K. Pressure effects on the recombination rate constant, on the individual rate constant ratios and on the enrichments are also investigated. The theoretical results are consistent with the experimental data. The temperature dependence of the enrichment and rate constant ratios is also discussed, and experimental tests are suggested. The desirability of a more accurate potential energy surface for ozone in the transition state region is also noted. Electron transfer reactions at semiconductor /liquid interfaces are studied using a tight-binding model for the semiconductors. The slab method and a z-transform method are employed in obtaining the tight-binding electronic structures of semiconductors having surfaces. The maximum electron transfer rate constants at Si/viologen^(2-/+) and InP /Me_(2)Fc^(+/O) interfaces are computed using the tight-binding type calculations for the solid and the extended-Huckel for the coupling to the redox agent at the interface. These electron transfer reactions are also studied using a free electron model for the semiconductor and the redox molecule, where Bardeen's method is adapted to calculate the coupling matrix element between the molecular and semiconductor electronic states. The calculated results for maximum rate constant of the electron transfer from the semiconductor bulk states are compared with the experimentally measured values of Lewis and coworkers, and are in reasonable agreement, without adjusting parameters. In the case of InP /liquid interface, the unusual current vs applied potential behavior is additionally interpreted, in part, by the presence of surface states. Photoinduced electron transfer reactions in small supramolecular systems, such as 4-aminonaphthalimide compounds, are interesting in that there are, in principle, two alternative pathways (directions) for the electron transfer. The electron transfer, however, is unidirectional, as deduced from pH-dependent fluorescence quenching studies on different compounds. The role of electronic coupling matrix element and the charges in protonation are considered to explain the directionality of the electron transfer and other various results. A related mechanism is proposed to interpret the fluorescence behavior of similar molecules as fluorescent sensors of metal ions
Vreugdegalm, over de gelukkige geboorte van den jongen Prins van Oranje en Nassau by Rudolph A Marcus( )
2 editions published in 1748 in Dutch and held by 2 WorldCat member libraries worldwide
Direct simulation of quantum dynamics in complex systems by Artur R Menzeleev( )
2 editions published in 2014 in English and held by 2 WorldCat member libraries worldwide
Accurate simulation of quantum dynamics in complex systems poses a fundamental theoretical challenge with immediate application to problems in biological catalysis, charge transfer, and solar energy conversion. The varied length- and timescales that characterize these kinds of processes necessitate development of novel simulation methodology that can both accurately evolve the coupled quantum and classical degrees of freedom and also be easily applicable to large, complex systems. In the following dissertation, the problems of quantum dynamics in complex systems are explored through direct simulation using path-integral methods as well as application of state-of-the-art analytical rate theories
Quantum simulation of enzyme catalysis by Nicholas Boekelheide( Book )
2 editions published in 2013 in English and held by 2 WorldCat member libraries worldwide
Studies in recombination and dissociation reactions for collisional energy transfer and electron transfer of nanocrystals and dye molecules by Zhaoyan Zhu( )
2 editions published in 2012 in English and held by 2 WorldCat member libraries worldwide
Jugurtha, treurspel, gevolgd naar het fransche van den Heere de La Grange-Chancel, door Rudolph Marcus by Joseph de La Grange-Chancel( Book )
1 edition published in 1759 in Dutch and held by 1 WorldCat member library worldwide
Intramolecular motion and chemical reaction : a discussion by Ian Mills( Book )
1 edition published in 1990 in English and held by 1 WorldCat member library worldwide
Oscar Knefler Rice : February 12, 1903-May 7, 1978 by B Widom( )
1 edition published in 1985 in English and held by 1 WorldCat member library worldwide
Farnabazes, of de Edelmoedige gunsteling, treurspel, gevolgd naar het fransch. [Door Rudolph Marcus.] by Rudolph A Marcus( Book )
1 edition published in 1744 in Dutch and held by 1 WorldCat member library worldwide
Intramolecular motion and chemical reaction : Discussion : Papers and discussions ( )
1 edition published in 1990 in English and held by 1 WorldCat member library worldwide
Interaction of theory and experiment: examples from single molecule studies of nanoparticles by Rudolph A Marcus( )
1 edition published in 2010 in Undetermined and held by 1 WorldCat member library worldwide
This article is in part the author's perspective on the revolution that has occurred in theoretical chemistry during the past half-century. In this period much of theoretical chemistry has moved from its initial emphasis on analytic treatments, resulting in equations for physical chemical and chemical phenomena, to the detailed computation of many different systems and processes. In the best sense the old and the new are complementary and their coexistence can benefit both. Experiment too has seen major developments. One of the newer types of experiment is that of single molecule studies. They range from those on small inorganic and organic nanoparticles to large biological species. We illustrate some of the issues that arise, using the topic of ‘quantum dots’ (QDs), and choosing a particular inorganic nanoparticle, CdSe, the most studied of these systems. Its study reflects the problems that arise in experiment and in theories in this field. The complementary nature of the conventional ensemble experiments and the new single molecule experiments is described and is illustrated by trajectories for the two types of experiments. The research in the QD field is both experimentally and theoretically a currently ongoing process, for which the answers are not fully known in spite of the large body of research. The detailed role of surface states is part of the problem. The field continues to yield new and unexpected results. In a sense this part of the article is an interim report that illustrates one analytic approach to the topic and where computer calculations and simulations can be expected to provide added insight
Electron, Proton and Related Transfers ( Book )
1 edition published in 1982 in English and held by 1 WorldCat member library worldwide
Past and current developments in electron and proton transfer and in related fields are described. Broad classes of reactions have been considered from a unified viewpoint, which offers a variety of experimental predictions. This introductory lecture considers various aspects of this many-faceted field. (Author)
The second R. A. Robinson Memorial Lecture. Electron, proton and related transfers by Rudolph A Marcus( )
1 edition published in 1982 in Undetermined and held by 1 WorldCat member library worldwide
Past and current developments in electron and proton transfer and in related fields are described. Broad classes of reactions have been considered from a unified viewpoint which offers a variety of experimental predictions. This introductory lecture considers various aspects of this many-faceted field. A simple equation is given for a highly exothermic electron-transfer reaction
Recent Developments in Electron Transfer Reactions ( Book )
1 edition published in 1987 in English and held by 1 WorldCat member library worldwide
Earlier results and more recent developments in electron transfer reactions are reviewed. The more recent results include inverted behavior, electronic orientation effects on reaction rates, solvent dynamics, early steps in photosynthesis, and light emission from metel electrodes. Keywords: Electron transfer; Reaction; Rates
At the birth of modern semiclassical theory by Rudolph A Marcus( )
1 edition published in 2012 in Undetermined and held by 1 WorldCat member library worldwide
The rapid development of the semiclassical theory of Miller and Marcus and its applications in the 1970s was an exciting experience. Some of these developments and the issues involved are described in the present overview
Dynamics of Hydrogen Atom and Proton Transfer Reactions. Nearly Degenerate Asymmetric Case ( Book )
1 edition published in 1982 in English and held by 1 WorldCat member library worldwide
A method for approximate treatment of collinear H-atom or proton transfer reactions AH + B yields A + HB which involve two nearly degenerate vibrational states is developed. The method is based on constructing a diabatic representation of the problem, i.e., one in which the reactant and the product vibrational states are distinguished as such throughout the collision. The diabatic representation is constructed with the aid of the adiabatic one discussed in an earlier paper. The treatment can also be applied to symmetric exchange reactions in which case it gives results in good agreement with other results. (Author)
Farnabazes of the edelmoedige gunsteling ( Book )
in English and held by 1 WorldCat member library worldwide
 
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Alternative Names
Marcus, R. A. 1923-
Marcus, R. A. (Rudolph Arthur), 1923-
Languages
English (19)
Dutch (4)
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