Results 331 to 340 of about 12,413,187 (395)

Ring current decay

Ring Current Investigations, 2020
V. Jordanova
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Ring currents in condensed ring systems

International Journal of Quantum Chemistry, 1998
We 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, 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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