CHBC Faculty Publications
Browse all authors | Browse all journals
| Title | UA Author | Publication Name | Year |
|---|
| Compact representation of generalized molecular polarizabilities and efficient calculation of polarization energy in an arbitrary electric field | Pulay, Peter | International Journal of Quantum Chemistry | 2022 |
| A Perspective on the CASPT2 Method | Pulay, Peter | International Journal of Quantum Chemistry | 2011 |
| Efficient Calculation of the Energy of a Molecule in an Arbitrary Electric Field | Janowski, Tomasz | International Journal of Quantum Chemistry | 2009 |
| Efficient Calculation of the Energy of a Molecule in an Arbitrary Electric Field | Pulay, Peter | International Journal of Quantum Chemistry | 2009 |
| Synthesis, structure, and physical properties of a new phenalenyl-based neutral radical crystal: Correlation between structure and transport properties in carbon-based molecular conductors | Cordes, A. Wallace | International Journal of Quantum Chemistry | 2003 |
| The ene reaction: Comparison of results of Hartree-Fock, Moller-Plesset, CASSCF, and DFT calculations | Pranata, Julianto | International Journal of Quantum Chemistry | 1997 |
| Charge-Exchange in the Nonadiabatic Na/W Gas-Surface Reaction Using a Diabatic Representation | Kristyan, Sandor | International Journal of Quantum Chemistry | 1995 |
| The Tautomers of Uracil - a Local Correlation Treatment | Boughton, James White | International Journal of Quantum Chemistry | 1993 |
| Half-Projected Hartree-Fock Natural Orbitals for Defining Cas Scf Active Spaces | Pulay, Peter | International Journal of Quantum Chemistry | 1993 |
| The Tautomers of Uracil - a Local Correlation Treatment | Pulay, Peter | International Journal of Quantum Chemistry | 1993 |
| Analytical Force-Constant Calculation as a Minimization Problem. | Sellers, Harrell Lee | International Journal of Quantum Chemistry | 1986 |
| Variational Formulation and Gradient Evaluation for Coupled Electron Pair Approximations - a Model Study | Pulay, Peter | International Journal of Quantum Chemistry | 1983 |
| Chemistry, Computers, and Microelectronics: Present and Future Prospects | Ostlund, Neil S. | International Journal of Quantum Chemistry | 1979 |
| Rigid-Rotor Potential Surface for Hydrogen Molecule Dimer | Ostlund, Neil S. | International Journal of Quantum Chemistry | 1977 |
| Interaction Energies between Closed-Shell Systems - Correlation Energy in Random Phase Approximation | Ostlund, Neil S. | International Journal of Quantum Chemistry | 1977 |
