Extraction of spectral information from a short-time signal using filter-diagonalization: Recent developments and applications to semiclassical reaction dynamics and nuclear magnetic resonance signals

1998 ◽  
Vol 108 (20) ◽  
pp. 8360-8368 ◽  
Author(s):  
John W. Pang ◽  
Thorsten Dieckmann ◽  
Juli Feigon ◽  
Daniel Neuhauser
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Reaction Dynamics ◽  
Spectral Information ◽  
Time Signal ◽  
Filter Diagonalization ◽  
Recent Developments ◽  
Short Time ◽  
Nuclear Magnetic

Some Recent Developments in High Resolution Nuclear Magnetic Resonance

1972 ◽  
Vol 26 (4) ◽  
pp. 421-430 ◽  
Author(s):  
Edwin D. Becker
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
High Resolution ◽  
Nuclear Overhauser Effect ◽  
Double Resonance ◽  
Relaxation Times ◽  
Nuclear Magnetic Resonance Spectra ◽  
Recent Developments ◽  
Nuclear Overhauser ◽  
Nuclear Magnetic

Techniques for studying high resolution nuclear magnetic resonance spectra have been considerably broadened in recent years. The most far reaching development—pulse Fourier transform (FT) methods—is discussed in detail. Applications of FT techniques to measurement of relaxation times and to enhancement of weak signals, especially from natural abundance 13C, are reviewed. Double resonance methods, particularly the nuclear Overhauser effect, and the use of lanthanide shift reagents are also covered in this “mini-review.”

scholarly journals Nuclear magnetic resonance imaging: a tool for microscopists?

1986 ◽  
Vol 34 (1) ◽  
pp. 75-81 ◽  
Author(s):  
J S Morrow
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Three Dimensional ◽  
Frequency Dispersion ◽  
Nmr Imaging ◽  
State Of Water ◽  
Tissue Contrast ◽  
Inherent Frequency ◽  
Short Time ◽  
Nuclear Magnetic

Nuclear magnetic resonance (NMR) imaging is revolutionizing the field of noninvasive diagnosis because of its excellent resolution and inherent high soft-tissue contrast. It is also feasible to use NMR imaging in the microscopic milieu. However, application at this level is handicapped by several technical and theoretical limitations. Foremost among these is the difficulty of obtaining sufficient signal from voxels of microscopic dimensions in sufficiently short time scales to make the technique practical. Other limitations include the effects of Brownian motion and the inherent frequency dispersion over each voxel. These constraints limit three-dimensional resolution to 1-10 micron. Even within these limits, the nondestructive nature of the technique and its unique sensitivity to the state of water within cells and tissues promise to make it a valuable tool for future microscopists.

scholarly journals The breakthrough of a quantum chemist by classical dynamics: Martin Karplus and the birth of computer simulations of chemical reactions

2021 ◽  
Vol 46 (1) ◽  
Author(s):  
Daniele Macuglia ◽  
Benoît Roux ◽  
Giovanni Ciccotti
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Reaction Dynamics ◽  
Theoretical Chemistry ◽  
Quasiclassical Approximation ◽  
Classical Dynamics ◽  
Chemical Studies ◽  
History Of ◽  
Quantum Chemical Studies ◽  
Nuclear Magnetic

Abstract1964–1965 was an early, crucial period in Martin Karplus’ research—a time when, rather unexpectedly, he approached the problem of reactive collisions using a quasiclassical approximation with the aid of computer technologies. This marked a substantial departure from the quantum-chemical studies of nuclear magnetic resonance that had, until then, dominated his work. The historical perspective outlined by George Schatz, as well Karplus’ own biography, partly frames the contours of this remarkable period in the history of theoretical chemistry. Yet, the available historical literature is not sufficiently complete to allow us to understand Karplus’ transition from nuclear magnetic resonance to reaction dynamics. In this article, we discuss the intellectual ground on which Karplus operated around 1964, further commenting on the relevance of his quantum and quasiclassical studies and pondering how Karplus’ approach eventually led to his interest in the simulation of complex biomolecules.

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