Chemical Shifts in Liquid Water Calculated by Molecular Dynamics Simulations and Shielding Polarizabilities
- 1 May 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 101 (20) , 4105-4110
- https://doi.org/10.1021/jp9637338
Abstract
No abstract availableKeywords
This publication has 47 references indexed in Scilit:
- Intermolecular Potential for the 1,2-Dimethoxyethane−Water ComplexThe Journal of Physical Chemistry, 1996
- Proton chemical shift of water in the liquid state: computer simulation resultsJournal of the American Chemical Society, 1993
- Nuclear Magnetic Shieldings and Molecular StructurePublished by Springer Nature ,1993
- Reply to the comment on the application of basis set superposition error to ab initio calculation of water dimerThe Journal of Physical Chemistry, 1991
- A more reliable oxygen-17 absolute chemical shielding scaleThe Journal of Chemical Physics, 1984
- The17O nuclear magnetic shielding in H217O and D217OMolecular Physics, 1983
- Absolute Infrared Intensity of the Librational Mode of Crystalline OCSThe Journal of Chemical Physics, 1967
- Proton Resonance Shift of Water in the Gas and Liquid StatesThe Journal of Chemical Physics, 1966
- Solvent Effects in Nuclear Magnetic Resonance SpectraThe Journal of Chemical Physics, 1960
- CHEMICAL SHIFTS IN THE NUCLEAR MAGNETIC RESONANCE SPECTRA OF MOLECULES CONTAINING POLAR GROUPSCanadian Journal of Chemistry, 1960