Magnetic point-group symmetries of high order in molecules can be described via the electronic current density vector field induced by a set of ideal magnetic dipoles properly placed in space. The expression for the diamagnetic Larmor-type current density induced in the electrons of a molecule by intrinsic nuclear magnetic dipole moments can be obtained via classical electrodynamics, but quantum mechanics is necessary to account for other terms: the Ramsey relations for paramagnetic spin-orbit, spin-dipolar, Fermi contact, and cross Fermi contact/spin-dipolar contributions to (indirect) spin-spin nuclear magnetic coupling can be rewritten in terms of second-rank current density tensors. Maps of current densities induced by two nuclear di...
The authors' magnetic field density functional theory is extended to include electron spin-dependent...
Mathematical tools for solving the real autonomous system of linear differential equations for the t...
$^{1}$N. F. Ramsey and E. M. Purcell, Phys. Rev. 85:143 (1952) $^{2}$ H. S. Gutowsky, D. W. McCall, ...
Magnetic point-group symmetries of high order in molecules can be described via the electronic curre...
Magnetic point-group symmetries of high order in molecules can be described via the electronic curre...
The Ramsey approach to nuclear magnetic resonance (NMR) spectral parameters, nuclear magnetic shield...
The indirect nuclear spin\u2013spin coupling is rationalized via electronic current densities induce...
The indirect nuclear spin-spin coupling is rationalized via electronic current densities induced by ...
A gauge transformation of the vector potential AmI , associated to the magnetic dipole mI of nucleus...
We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors...
Nuclear spin-spin coupling density functions yield a three-dimensional picture of the interaction be...
We show that, by constructing a magnetic-field density functional theory for the response of many-el...
It is shown that nuclear spin-spin coupling in a molecule can be rationalized in terms of property d...
Author Institution: Noyes Chemical Laboratory, University of IllinoisAn extremely simple method has ...
A novel procedure for calculating magnetic susceptibilities and nuclear magneticshieldings in molecu...
The authors' magnetic field density functional theory is extended to include electron spin-dependent...
Mathematical tools for solving the real autonomous system of linear differential equations for the t...
$^{1}$N. F. Ramsey and E. M. Purcell, Phys. Rev. 85:143 (1952) $^{2}$ H. S. Gutowsky, D. W. McCall, ...
Magnetic point-group symmetries of high order in molecules can be described via the electronic curre...
Magnetic point-group symmetries of high order in molecules can be described via the electronic curre...
The Ramsey approach to nuclear magnetic resonance (NMR) spectral parameters, nuclear magnetic shield...
The indirect nuclear spin\u2013spin coupling is rationalized via electronic current densities induce...
The indirect nuclear spin-spin coupling is rationalized via electronic current densities induced by ...
A gauge transformation of the vector potential AmI , associated to the magnetic dipole mI of nucleus...
We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors...
Nuclear spin-spin coupling density functions yield a three-dimensional picture of the interaction be...
We show that, by constructing a magnetic-field density functional theory for the response of many-el...
It is shown that nuclear spin-spin coupling in a molecule can be rationalized in terms of property d...
Author Institution: Noyes Chemical Laboratory, University of IllinoisAn extremely simple method has ...
A novel procedure for calculating magnetic susceptibilities and nuclear magneticshieldings in molecu...
The authors' magnetic field density functional theory is extended to include electron spin-dependent...
Mathematical tools for solving the real autonomous system of linear differential equations for the t...
$^{1}$N. F. Ramsey and E. M. Purcell, Phys. Rev. 85:143 (1952) $^{2}$ H. S. Gutowsky, D. W. McCall, ...