Ab initio molecular electrostatic potentials
- 1 January 1975
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 36 (4), 339-344
- https://doi.org/10.1007/bf00549697
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- On the molecular electrostatic potentials obtained with CNDO and INDO wave functionsTheoretical Chemistry Accounts, 1974
- The protonation of organic molecules: electrostatic versus SCF CNDO calculations for three-membered ring moleculesChemical Physics Letters, 1973
- N- versus O-proton affinities of the amide group: Ab initio electrostatic molecular potentialsChemical Physics Letters, 1972
- 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
- Molecular SCF Calculations for the Ground State of Some Three-Membered Ring Molecules: (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, and N2CH2The Journal of Chemical Physics, 1970
- Study of the electronic structure of molecules. XActa Physica Academiae Scientiarum Hungaricae, 1969
- Ab initio Calculations on cytosine, thymine and adenineTheoretical Chemistry Accounts, 1969
- Effects of Some Chemical Mutagens and Carcinogens on Nucleic AcidsProgress in Nucleic Acid Research and Molecular Biology, 1966
- Determination of Base Sequence in Nucleic Acids with the Electron Microscope. IV. Nucleoside Complexes with Certain Metal Ions*Biochemistry, 1965