Publications

954 results at The Journal of Chemical Physics

Study of the electronic structure of molecules. VI. Charge-transfer mechanism for the NH₃+HCl⇄NH₄Cl reaction
- - Enrico Clementi
- 2004
- The Journal of Chemical Physics
Study of the electronic structure of molecules. V. All-electron SCF wavefunction for the ground state of pyrazine
- - Enrico Clementi
- 2004
- The Journal of Chemical Physics
Theory of molecular polarizabilities
- - A.D. McLean
  - M. Yoshimine
- 2004
- The Journal of Chemical Physics
Study of the electronic structure of molecules. VIII. All-electron SCF wavefunctions for pyridine positive ion, ²A₂
- - Enrico Clementi
- 2004
- The Journal of Chemical Physics
Single-center wavefunctions for H₃⁺ and H₃
- - J.P. Considine
  - E.F. Hayes
- 2004
- The Journal of Chemical Physics
Comparison of valence-bond and molecular-orbital results for some ion-radicals
- - Thomas H. Brown
  - Martin Karplus
- 2004
- The Journal of Chemical Physics
Matrix elements of z/r³ and (3z²-r ²)/r⁵ in a slater basis for linear systems
- - A.D. McLean
  - M. Yoshimine
- 2004
- The Journal of Chemical Physics
Self-consistent field theory for the electronic structure of polymers
- - Jean Marie Andre
- 2003
- The Journal of Chemical Physics
Proton, deuterium, and sodium-23 magnetic resonance of ferroelectric lecontite NaNH₄so₄·2H₂₂O
- - D.J. Genin
  - D.E. O'Reilly
- 2003
- The Journal of Chemical Physics
Molecular force field for trimethylamine
- - J.N. Gayles
- 2003
- The Journal of Chemical Physics