The protonation of organic molecules: electrostatic versus SCF CNDO calculations for three-membered ring molecules
- 15 May 1973
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 20 (2), 201-206
- https://doi.org/10.1016/0009-2614(73)80231-3
Abstract
No abstract availableThis publication has 14 references indexed in Scilit:
- 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
- The electrostatic molecular potential for imidazole, pyrazole, oxazole and isoxazoleTheoretical Chemistry Accounts, 1972
- Theoretical investigations on the solvation processTheoretical Chemistry Accounts, 1971
- Molecular SCF calculations for the ground state of some three-membered ring molecules: Cis and trans diaziridine, oxaziridine and the corresponding imminium ionsTheoretical Chemistry Accounts, 1971
- 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
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Non empirical LCAO-MO-SCF calculations with gaussian type functions on some three membered ring heterocyclesTheoretical Chemistry Accounts, 1969
- On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and CrystalsThe Journal of Chemical Physics, 1950