Ab initio mo calculation of nuclear quadrupole coupling constant of 2H and 17O nuclei in water molecule
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference19 articles.
1. Nuclear Quadrupole Coupling in Polyatomic Molecules
2. Hyperfine Structure of HD17O by Beam‐Maser Spectroscopy
3. SCF MO's and Molecular Properties of H2O
4. Approximate Hartree–Fock Wavefunctions, One‐Electron Properties, and Electronic Structure of the Water Molecule
5. Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen
Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Quantum Chemical Study on Oxygen-17 and Nitrogen-14 Nuclear Quadrupole Coupling Parameters of Peptide Bonds in α-Helix and β-Sheet Proteins;The Journal of Physical Chemistry A;2001-04-06
2. Ab initio MO calculations of nuclear quadrupole coupling constants of 35Cl and 2H nuclei in CH3Cl, CH2Cl2, CCl2 and CHCl molecules;Journal of Molecular Structure;1995-05
3. Ab initio MO studies of nuclear spin–spin interactions in CH3F, SiH3F and CH3OH;J. Chem. Soc., Faraday Trans.;1995
4. Ab initio MO studies of nuclear spin-spin coupling constants in CH4, SiH4, AlH 4 ? and GeH4 systems;Theoretica Chimica Acta;1994-11
5. Ab initio studies of nuclear quadrupole couplings in N2H2 and NH3 molecules;Theoretica Chimica Acta;1989
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