Localised molecular orbitals in self-consistent field wave functions. Part X. The nature of electronegativity

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19660000656 ◽

1966 ◽

pp. 656 ◽

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text

373. Localised molecular orbitals in the self-consistent field wave functions of linear molecules. Part II. Atomic charges and dipole moments

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9630002015 ◽

1963 ◽

pp. 2015 ◽

Author(s):

David Peters

Keyword(s):

Dipole Moments ◽

Molecular Orbitals ◽

Wave Functions ◽

The Self ◽

Atomic Charges ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Linear Molecules ◽

Download Full-text

555. Localised molecular orbitals in self-consistent field wave functions. Part VII. Electron delocalisation and “sigmaconjugation”

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9650003026 ◽

1965 ◽

Vol 0 (0) ◽

pp. 3026-3032 ◽

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text

372. Localised molecular orbitals in the self-consistent field wave functions of linear molecules. Part I. Hybridisations

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9630002003 ◽

1963 ◽

pp. 2003 ◽

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

The Self ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Linear Molecules ◽

Download Full-text

563. Localised molecular orbitals in self-consistent field wave functions. Part VI. Bond energies, atomisation energies, and their relationships with ionisation energies

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9640002916 ◽

1964 ◽

pp. 2916 ◽

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

Bond Energies ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text

562. Localised molecular orbitals in self-consistent field wave functions. Part V. Relationships between atomic and molecular ionisation energies

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9640002908 ◽

1964 ◽

pp. 2908 ◽

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text

Localised molecular orbitals in self-consistent field wave functions. Part IX. The ionic bond energy and dipole–dipole interaction energies

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19660000652 ◽

1966 ◽

Vol 0 (0) ◽

pp. 652-656 ◽

Author(s):

David Peters

Keyword(s):

Bond Energy ◽

Dipole Interaction ◽

Molecular Orbitals ◽

Wave Functions ◽

Interaction Energies ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text

561. Localised molecular orbitals in self-consistent field wave functions. Part IV. Ionisation energies of lone pairs and two-electron bonds

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9640002901 ◽

1964 ◽

pp. 2901 ◽

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text

764. Localised molecular orbitals in self-consistent field wave functions. Part III. Hybridisations, atomic charges, and dipole moments in non-linear molecules

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9630004017 ◽

1963 ◽

pp. 4017 ◽

Author(s):

David Peters

Keyword(s):

Dipole Moments ◽

Molecular Orbitals ◽

Wave Functions ◽

Atomic Charges ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Linear Molecules ◽

Download Full-text

Localised molecular orbitals in self-consistent field wave functions. Part VIII. The role of the inner-shell electrons in molecule formation

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19660000644 ◽

1966 ◽

pp. 644 ◽

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

Molecule Formation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text

Application of the saddle-point variational method to self-consistent-field wave functions

International Journal of Quantum Chemistry ◽

10.1002/qua.560240844 ◽

2009 ◽

Vol 24 (S17) ◽

pp. 401-405

Author(s):

William L. Luken ◽

Joseph M. Leonard ◽

John C. Culberson

Keyword(s):

Variational Method ◽

Saddle Point ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Download Full-text