Results 151 to 160 of about 1,698,158 (202)
A Flexible and Polarization-Insensitive Metasurface Harvester Featuring a Dual-Ring Unit with a T-Shaped-Gap Outer Ring for Microwave Power Transfer. [PDF]
Li Z +6 more
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Umpolung strategy for the electrochemical synthesis of novel anthraquinone-based sulfonamide derivatives: a facile and sustainable strategy. [PDF]
Nematollahi D +2 more
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Ring currents in condensed ring systems
International Journal of Quantum Chemistry, 1998We have studied magnetism and aromaticity of polycyclic ring systems by analyzing ring currents for different circulations in these molecules. The technique employed for calculating ring currents uses correction vectors which implicitly includes all the eigenstates of the Hamiltonian in the space of the chosen configurations.
Anusooya, Y +3 more
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Full Spectral Decomposition of Ring Currents
The Journal of Physical Chemistry A, 2006Within 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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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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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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Double Aromaticity and Ring Currents in All‐Carbon Rings
Chemistry – A European Journal, 2009AbstractDouble aromaticity of neutral, planar rings of carbon atoms is demonstrated through visualisation of the induced ring currents, mapped at the ipsocentric B3LYP/6‐31G(d)//B3LYP/6‐31G(d) level for species C6 to C30, with onset of delocalised current in the in‐plane π system at C10/C11.
Patrick W, Fowler +3 more
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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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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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“Ring currents” static hypersusceptibilities
International Journal of Quantum Chemistry, 1980AbstractThe Hückel–London theory has been applied to the calculation of the “ring currents” octopole hypersusceptibilities of a series of conjugated compounds. Our calculations have been performed using fourth‐order Rayleigh–Schrödinger perturbation technique. This is believed to be the first calculation of this kind.
J. Gayoso +3 more
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