Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference33 articles.
1. Nuclear quadrupole moment of nitrogen from combined fully numerical and discrete basis-set calculations on NO+ and N2
2. DFT and HF–DFT calculations of quadrupole coupling constants in molecules
3. Density functional theory calculations of nuclear quadrupole coupling constants with calibrated14N quadrupole moments
4. Evolution of Chemical Bonding during HCN⇄HNC Isomerization as Revealed through Nuclear Quadrupole Hyperfine Structure
5. Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization
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2. Nuclear Quadrupole Coupling Constants for N2O: Experiment and Theory;The Journal of Physical Chemistry A;2012-09-24
3. Density functional theory study of nitrogen-14 nuclear quadrupole coupling parameters of L-histidine: hydrogen-bonded system;Magnetic Resonance in Chemistry;2012-03-14
4. Theoretical studies of the dependence of nuclear quadrupole coupling constants on intermolecular forces;Computational and Theoretical Chemistry;2012-03
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