Molecular electrostatic potentials from Xα calculations. Method and application to water and formamide
- 7 September 1984
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 109 (6) , 544-549
- https://doi.org/10.1016/0009-2614(84)85421-4
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- Electrostatic potential molecular surfaces.Proceedings of the National Academy of Sciences, 1982
- X.alpha. multiple scattering calculations on copper, silver, and gold porphinesThe Journal of Physical Chemistry, 1982
- Electronic structure of metallocene compounds. 3. Comparison of the results of multiple-scattering X.alpha. calculations with various electronic observables of cobaltoceneJournal of the American Chemical Society, 1982
- The electrostatic field of B-DNATheoretical Chemistry Accounts, 1982
- Bonding in Ni(PH3)2(C2H4) and Ni(PH3)2(C2H2). Ab initio SCF-MO studyInorganic Chemistry, 1981
- Relative stability of bent and linear coordination of the nitrosyl ligand in nitrosylpentaamminecobalt(III), Co(NH3)5NO2+. An ab initio investigationInorganic Chemistry, 1979
- Cation binding to biomoleculesTheoretical Chemistry Accounts, 1979
- Electronic Molecular Structure, Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular PotentialsPublished by Elsevier ,1978
- Origin of alkyl substituent effect in the proton affinity of amines, alcohols, and ethersJournal of the American Chemical Society, 1976
- A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximationInternational Journal of Quantum Chemistry, 1976