On the basis set dependence of reported limitations in predictions from electrostatic potentials
- 15 June 1978
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 56 (3), 582-584
- https://doi.org/10.1016/0009-2614(78)89046-0
Abstract
No abstract availableThis publication has 16 references indexed in Scilit:
- The limits of electrostatic potential predictions: a theoretical study of nitrous acid and protonated derivativesChemical Physics Letters, 1977
- The origin of hydrogen bonding. An energy decomposition studyJournal of the American Chemical Society, 1977
- Origin of alkyl substituent effect in the proton affinity of amines, alcohols, and ethersJournal of the American Chemical Society, 1976
- On the origin of the reverse order of intrinsic affinities towards H+ and Li+ in the series NH3 to N(CH3)3Chemical Physics Letters, 1975
- A comparative study of electrostatic potential maps obtained with different basis setsChemical Physics Letters, 1974
- On the molecular electrostatic potentials obtained with CNDO and INDO wave functionsTheoretical Chemistry Accounts, 1974
- Molecular orbital studies of hydrogen bonds. V. Analysis of the hydrogen-bond energy between lower excited states of formaldehyde and waterJournal of the American Chemical Society, 1973
- The protonation of organic molecules: electrostatic versus SCF CNDO calculations for three-membered ring moleculesChemical Physics Letters, 1973
- The molecular electrostatic potentials for the nucleic acid bases: Adenine, thymine, and cytosineTheoretical Chemistry Accounts, 1972
- Molecular electrostatic potentials: Comparison of ab initio and CNDO resultsTheoretical Chemistry Accounts, 1972