Results 301 to 310 of about 226,779 (345)

Full Spectral Decomposition of Ring Currents

The Journal of Physical Chemistry A, 2006
Within the ipsocentric method for calculation of molecular magnetic response, projection of perturbed orbitals onto the virtual orbital space allows partition of induced current density into contributions from individual virtual excitations between occupied and unoccupied orbitals, enabling detailed assignment of the origin of currents in, e.g ...
Steiner E., Soncini A., Fowler P. W.
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Ring currents

Progress in Nuclear Magnetic Resonance Spectroscopy, 2000
BCS: Bardeen–Cooper–Schrieffer; BRE: bond resonance energy; CHF: coupled Hartree–Fock; CIS: complexation chemicalshifts; CM: centre of mass; CO: common origin; CPT: charge conjugation-parity inversion-time reversal; CSGT: continuous set of gaugetransformations; CSDGT: continuous set of damped gauge transformations; CTDOCD: continuous transformation of ...
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The ring current in cyclopropane

Theoretical Chemistry Accounts, 2007
Mapping of induced current density using the coupled Hartree-Fock “ipsocentric” (CTOCD-DZ/ 6-31G**//RHF/6-31G**) method shows a ring current arising in the σ framework of cyclopropane that is intense, diatropic and annular, and hence is consistent with the numerous literature attributions of σ-aromaticity to this molecule.
Patrick W. Fowler, Jon Baker, Mark Lillington   +2 more
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Topological definition of ring currents

Physical Chemistry Chemical Physics, 2016
A definition of ring currents in a velocity vector field is proposed according to topological criteria: ring currents are axial vortices confined in, or rotating beyond, a separatrix, i.e., the boundary which marks the limits of the vortex.
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On magnetic field of ring current

Journal of Computational Methods in Sciences and Engineering, 2010
The explicit expression for magnetic induction vector of a ring current at arbitrary point in toroidal coordinates is presented in terms of the full elliptic integral of the first kind and its derivative over integral modulus. There is a conjugated point for any observation point: it is an image of the latter in a sphere with the ring current as its ...
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Ring currents and magnetisability in C60

Chemical Physics Letters, 1995
Abstract A distributed-origin coupled Hartree-Fock method is used to compute the current density induced in C 60 by an external magnetic field, and hence to plot the π ring currents and obtain ab initio values of the total magnetisability and nuclear magnetic shielding.
ZANASI, Riccardo, P. W. FOWLER
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Rings of the Agulhas current

Deep Sea Research Part A. Oceanographic Research Papers, 1986
Abstract A combination of satellite-tracked surface drifters, satellite-derived sea surface temperature, and ship-measured isotherm depth fields are used to describe two rings formed from the Agulhas Retroflection south of Africa. The drifter and satellite data are used to calculate ring trajectories.
Donald B. Olson, Robert H. Evans
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Calibration of ring-current models for the heme ring

Journal of Magnetic Resonance (1969), 1985
Abstract Three ring-current models for the heme ring system have been calibrated using data from cytochrome c, cytochrome c551, cytochrome b5, and pyridine and picoline complexes of zinc porphyrin. Excellent agreement between observed and calculated shifts was obtained, even for protons in close proximity to the heme ring. Best agreement was obtained
Keith J Cross, Peter E Wright
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Photoinduced Charge Currents in Mesoscopic Rings

Physical Review Letters, 2005
The temporal and spatial controllability of charge distribution in submicron structures opens new avenues for potential applications and for the understanding of nonequilibrium processes. Here we suggest a novel way to trigger and control within picoseconds charge currents and magnetic moments in nanoscopic and mesoscopic ring structures by applying ...
A, Matos-Abiague, J, Berakdar
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Ring Current Dynamics

Space Science Reviews, 2006
This chapter reviews the current understanding of ring current dynamics. The terrestrial ring current is an electric current flowing toroidally around the Earth, centered at the equatorial plane and at altitudes of ∼10,000 to 60,000 km. Enhancements in this current are responsible for global decreases in the Earth’s surface magnetic field, which have ...
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