The indirect nuclear spin–spin coupling is rationalized via electronic current densities induced by nuclear magnetic dipoles. Thecoupling-density tensor, a function in real space obtained from the current density, visualizes fundamental aspects of the couplingmechanism. Magnetic group theory and current-density plots are used for discussing the Dirac–van Vleck vector model in the contactinteraction. The Biot–Savart law is useful for understanding the sign of the contributions to the magnetic field at a nucleus froma given point of the current field. These tools are used to analyze the vicinal spin–spin coupling in ethane
We develop a methodology for calculating, analyzing, and visualizing nuclear magnetic shielding dens...
: The derivation of the total induced current density vector field, in the presence of static and un...
Coupled Hartree-Fock perturbation theory, within the framework of an accurate calculation, has been ...
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 ...
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...
Maps of ab initio electronic current density induced by the permanent magnetic dipole moment of 13C ...
The Ramsey approach to nuclear magnetic resonance (NMR) spectral parameters, nuclear magnetic shield...
We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors...
It is shown that nuclear spin-spin coupling in a molecule can be rationalized in terms of property d...
Nuclear spin-spin coupling density functions yield a three-dimensional picture of the interaction be...
A novel procedure for calculating magnetic susceptibilities and nuclear magneticshieldings in molecu...
A gauge transformation of the vector potential AmI , associated to the magnetic dipole mI of nucleus...
The theory of EPR hyperfine coupling tensors and NMR nuclear magnetic shielding tensors of open-shel...
We develop a methodology for calculating, analyzing, and visualizing nuclear magnetic shielding dens...
: The derivation of the total induced current density vector field, in the presence of static and un...
Coupled Hartree-Fock perturbation theory, within the framework of an accurate calculation, has been ...
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 ...
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...
Maps of ab initio electronic current density induced by the permanent magnetic dipole moment of 13C ...
The Ramsey approach to nuclear magnetic resonance (NMR) spectral parameters, nuclear magnetic shield...
We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors...
It is shown that nuclear spin-spin coupling in a molecule can be rationalized in terms of property d...
Nuclear spin-spin coupling density functions yield a three-dimensional picture of the interaction be...
A novel procedure for calculating magnetic susceptibilities and nuclear magneticshieldings in molecu...
A gauge transformation of the vector potential AmI , associated to the magnetic dipole mI of nucleus...
The theory of EPR hyperfine coupling tensors and NMR nuclear magnetic shielding tensors of open-shel...
We develop a methodology for calculating, analyzing, and visualizing nuclear magnetic shielding dens...
: The derivation of the total induced current density vector field, in the presence of static and un...
Coupled Hartree-Fock perturbation theory, within the framework of an accurate calculation, has been ...