Dimerization of Carboxylic Acids: Reliability of Theoretical Calculations and the Effect of Solvent
- 28 February 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 102 (12) , 2269-2276
- https://doi.org/10.1021/jp973414w
Abstract
No abstract availableKeywords
This publication has 73 references indexed in Scilit:
- Development of optimized MST/SCRF methods for semiempirical calculations: The MNDO and PM3 HamiltoniansJournal of Computational Chemistry, 1995
- An optimized AM1/MST method for the MST‐SCRF representation of solvated systemsJournal of Computational Chemistry, 1994
- Ab initio equilibrium constants for H2O–H2O and H2O–CO2The Journal of Chemical Physics, 1994
- Molecular orbital study of acetic acid aggregation. 1. Monomers and dimersThe Journal of Physical Chemistry, 1993
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- Ideal gas thermodynamic properties of methanoic and ethanoic acidsJournal of Physical and Chemical Reference Data, 1978
- Hydrogen bonding between nucleic acid bases and carboxylic acidsJournal of the American Chemical Society, 1977
- Hydrogen bonding of amino acid side chains to nucleic acid basesFEBS Letters, 1973
- The heat of dimerization of some carboxylic acids in the vapour phase determined by a spectroscopic methodSpectrochimica Acta Part A: Molecular Spectroscopy, 1969
- Effect of surface adsorption on the determination by infrared spectroscopy of hydrogen bond energies in carboxylic acid dimersJ. Chem. Soc. A, 1969