Adsorption of the Phosphate Groups on Silica Hydroxyls: An ab Initio Study
- 13 February 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (9) , 1228-1238
- https://doi.org/10.1021/jp981996r
Abstract
No abstract availableKeywords
This publication has 64 references indexed in Scilit:
- Adsorption of Water and Methanol on Silica Hydroxyls: Ab Initio Energy and Frequency CalculationsThe Journal of Physical Chemistry A, 1997
- Density functional theory calculations of adsorption and reactivity of methanol at alumino-silicate Brønsted acid centresJournal of the Chemical Society, Faraday Transactions, 1997
- Interaction of Water with Brønsted Acidic Sites of Zeolite Catalysts. Ab Initio Study of 1:1 and 2:1 Surface ComplexesThe Journal of Physical Chemistry, 1996
- Ab initio studies of lipid model species. 1. Dimethyl phosphate and methyl propyl phosphate anionsJournal of the American Chemical Society, 1993
- Quantum chemical molecular models of oxides. 3. The mechanism of water interaction with the terminal hydroxyl group of silicaThe Journal of Physical Chemistry, 1992
- Monte Carlo study of the aqueous hydration of dimethylphosphate conformationsJournal of Computational Chemistry, 1987
- Infrared spectroscopy of phosphatidylcholines in aqueous suspension a study of the phosphate group vibrationsBiochimica et Biophysica Acta (BBA) - Lipids and Lipid Metabolism, 1984
- Temperature dependence of the phosphorus-31 chemical shifts of nucleic acids. A probe of phosphate ester torsional conformationsBiochemistry, 1976
- Quantum-mechanical studies of environmental effects on biomolecules VI.Ab initio Studies on the hydration scheme of the phosphate groupTheoretical Chemistry Accounts, 1975
- Metal ion interaction with dimethyl phosphate anionTheoretical Chemistry Accounts, 1975