Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chains

George C. Lie; Enrico Clementi

doi:10.1063/1.1681482

The Journal of Chemical Physics

Paper

22 Aug 2003

Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chains

View publication

Abstract

In a previous paper of this series (paper XIX) we reported an ab initia computation for the barrier to the internal rotation in the sugar-phosphate- sugar complex, C10H19O8P; the barrier corresponds to the configuration with o>"=45°, u)' = i|/' = i|i" =

Paper

Analytical Hartree-Fock wavefunctions for the neutral atoms from helium to xenon

Paper

Study of the electronic structure of molecules. VIII. All-electron SCF wavefunctions for pyridine positive ion, ²A₂

Paper

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

Paper

Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies

View all publications

Abstract

Related

Analytical Hartree-Fock wavefunctions for the neutral atoms from helium to xenon

Study of the electronic structure of molecules. VIII. All-electron SCF wavefunctions for pyridine positive ion, 2A2

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies

Study of the electronic structure of molecules. VIII. All-electron SCF wavefunctions for pyridine positive ion, ²A₂