WorldCat Identities

Marcus, Rudolph A.

Overview
Works: 84 works in 102 publications in 3 languages and 261 library holdings
Genres: Conference proceedings  Academic theses  Bibliography  Biography 
Roles: Author, Editor, Thesis advisor
Classifications: QH505, 574.191
Publication Timeline
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Most widely held works about Rudolph A Marcus
 
Most widely held works by Rudolph A Marcus
Intramolecular motion and chemical reaction : proceedings of a Royal Society Discussion Meeting, held on 14 and 15 February 1990 by Royal Society (Gran Bretaña)( Book )

8 editions published in 1990 in English and held by 70 WorldCat member libraries worldwide

Quantum tunnelling in enzyme-catalysed reactions( )

2 editions published in 2009 in English and held by 52 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
Electrode reactions of organic compounds by General Discussion on Electrode Reactions of Organic Compounds( Book )

1 edition published in 1968 in English and held by 11 WorldCat member libraries worldwide

Versuche zur Synthese von Tricyclo[5.1.0.02,8]octanen und 1-Phenyl-1,2-cycloalkadienen aus Bicyclo[n.1.0]alkanen by Rudolph A Marcus( Book )

5 editions published in 1996 in German and Undetermined and held by 10 WorldCat member libraries worldwide

Theories of chemical reaction rates : selected papers of Rudolph A. Marcus( Book )

2 editions published in 1999 in English and held by 4 WorldCat member libraries worldwide

Evolution of kinetics : a centennial symposium of the Division of Physical Chemistry, American Chemical Society by American Chemical Society( Book )

1 edition published in 1976 in English and held by 3 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
Studies in the reactions of high energy atoms and molecules by Rudolph A Marcus( Book )

1 edition published in 1959 in English and held by 2 WorldCat member libraries worldwide

Quantum simulation of enzyme catalysis by Nicholas Boekelheide( Book )

2 editions published in 2013 in English and held by 2 WorldCat member libraries worldwide

Electron-transfer processes at semiconductor/liquid interfaces and metal/nanogap junctions by Florian Gstrein( Book )

1 edition published in 2004 in English and held by 2 WorldCat member libraries worldwide

Vreugdegalm, over de gelukkige geboorte van den jongen Prins van Oranje en Nassau by Rudolph A Marcus( Book )

1 edition published in 1748 in Dutch and held by 2 WorldCat member libraries worldwide

Studies on the conversion of PHX to AcAn by Rudolph A Marcus( Book )

2 editions published in 1946 in English and held by 2 WorldCat member libraries worldwide

"During the recent conflict, cyclotrimethylene triamine, more familiarly known as RDX, was recognized by both the Allies and the enemy as the most powerful explosive available in large quantities. The production of RDX stemmed from two main processes, (a) the Woolich Reaction (1), and (b) the Bachmann or Combination Method (2). The former essentially consisted in reaction between hexamine and fuming nitric acid, while in the latter hexamine is acted upon by nitric acid, ammonium nitrate and acetic anhydride in the presence of acetic acid. Although recent research on the explosive has been concerned mainly with problems of production, a new field in organic chemistry was simultaneously developed, that of the polymethylene nitramines. The mass of data thus accumulated emphasized the frequency of the reaction involving rupture of a methylene carbon-nitrogen bond by "acetyl nitrate", the acetate grouping attaching itself to the carbon and the nitro group to the nitrogen atom. Indeed the mechanisms (3, 4) proposed for the formation of RDX and related compounds generally included this as an essential step. Acetyl nitrate was suggested as the active agent, purely for convenience, but without experimental basis. [...] These considerations made it of interest to attempt a detailed study of the reaction leading to the rupture of the methylene carbon-nitrogen bond. [...]" --
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

Electron transfer at metal surfaces by Shachi S Gosavi( Book )

1 edition published in 2003 in English 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
Versuche zur Synthese von Tricyclo(5.1.0.0 2,8)octanen und 1-Phenyl-1,2-cycloalkadienen aus Bicyclo(n.1.0)alkanen by Rudolph A Marcus( Book )

1 edition published in 1996 in German and held by 1 WorldCat member library worldwide

Enzymatic catalysis and transfers in solution. I. Theory and computations, a unified view by Rudolph A Marcus( )

1 edition published in 2006 in Undetermined and held by 1 WorldCat member library worldwide

The transfer of hydride, proton, or H atom between substrate and cofactor in enzymes has been extensively studied for many systems, both experimentally and computationally. A simple equation for the reaction rate, an analog of an equation obtained earlier for electron transfer rates, is obtained, but now containing an approximate analytic expression for the bond rupture-bond forming feature of these H transfers. A "symmetrization," of the potential energy surfaces is again introduced [R. A. Marcus, J. Chem. Phys. 43, 679 (1965); J. Phys. Chem. 72, 891 (1968)], together with Gaussian fluctuations of the remaining coordinates of the enzyme and solution needed for reaching the transition state. Combining the two expressions for the changes in the difference of the two bond lengths of the substrate-cofactor subsystem and in the fluctuation coordinates of the protein leading to the transition state, an expression is obtained for the free energy barrier. To this end a two-dimensional reaction space (m,n) is used that contains the relative coordinates of the H in the reactants, the heavy atoms to which it is bonded, and the protein/solution reorganization coordinate, all leading to the transition state. The resulting expression may serve to characterize in terms of specific parameters (two "reorganization" terms, thermodynamics, and work terms), experimental and computational data for different enzymes, and different cofactor-substrate systems. A related characterization was used for electron transfers. To isolate these factors from nuclear tunneling, when the H-tunneling effect is large, use of deuterium and tritium transfers is of course helpful, although tunneling has frequently and understandably dominated the discussions. A functional form is suggested for the dependence of the deuterium kinetic isotope effect (KIE) on DeltaG° and a different form for the 13C KIE. Pressure effects on deuterium and 13C KIEs are also discussed. Although formulated for a one-step transfe
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

Tunneling in biological systems by Britton Chance( )

1 edition published in 1979 in English and held by 0 WorldCat member libraries worldwide

 
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Alternative Names
Marcus, R. A. 1923-

Marcus, R. A. (Rudolph Arthur), 1923-

Rudolph A. Marcus Canadian chemist

Rudolph Arthur Marcus

Rudolph Arthur Marcus amerikanischer Chemiker und Nobelpreisträger

Rudolph Marcus chimico canadese

Rudolph Marcus kanadyjski chemik, laureat Nagrody Nobla

Маркус, Рудольф Артур

Рудольф Артур Маркус

Рудольф Маркус

רודולף מרקוס רודולף מרקוס - חתן פרס נובל בכימיה - יהודי

رادولف مارکوس

رودولف ماركوس

روڈالف مارکس

রুডলফ মার্কাস

ルドルフ・マーカス

鲁道夫·马库斯

Languages
English (35)

German (5)

Dutch (1)

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