A Non-Empirical Intermolecular Potential for Oxalic Acid Crystal Structures
- 23 July 1999
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (32) , 6448-6457
- https://doi.org/10.1021/jp9910643
Abstract
No abstract availableKeywords
This publication has 46 references indexed in Scilit:
- Use of molecular overlap to predict intermolecular repulsion in N ··· H—O hydrogen bondsMolecular Physics, 1998
- The solvation of sodium ions in water clusters: intermolecular potentials for Na+-H2O and H2O-H2OMolecular Physics, 1996
- Gaussian multipoles in practice: Electrostatic energies for intermolecular potentialsJournal of Computational Chemistry, 1994
- A NEW INTERMOLECULAR ENERGY CALCULATION SCHEME - APPLICATIONS TO POTENTIAL SURFACE AND LIQUID PROPERTIES OF WATERThe Journal of Physical Chemistry, 1990
- Vapor pressures and lattice energies of oxalic acid, mesotartaric acid, phloroglucinol, myoinositol, and their hydratesThe Journal of Chemical Physics, 1983
- Atom-atom potential analysis of the packing characteristics of carboxylic acids. A study based on experimental electron-density distributionsJournal of the American Chemical Society, 1982
- Intermolecular interactions in crystals of carboxylic acids. IV. Empirical interatomic potential functionsActa Crystallographica Section A, 1978
- Repulsive potentials for Cl−–R and Br−–R (R=He, Ne, and Ar) derived from beam experimentsThe Journal of Chemical Physics, 1976
- Molecular Structure of Gaseous Oxalic Acid from Electron Diffraction and IR Data.Acta Chemica Scandinavica, 1970
- 347. The vapour pressure and lattice energy of hydrogen-bonded crystals. Part II. α- and β-Anhydrous oxalic acid and tetragonal pentaerythritolJournal of the Chemical Society, 1953