CHBC Faculty Publications

Browse all authors | Browse all journals

Filter by publication type
TitleUA AuthorPublication NameYear
A Perspective on the CASPT2 MethodPulay, PeterInternational Journal of Quantum Chemistry2011
Efficient Calculation of the Energy of a Molecule in an Arbitrary Electric FieldPulay, PeterInternational Journal of Quantum Chemistry2009
Synthesis, structure, and physical properties of a new phenalenyl-based neutral radical crystal: Correlation between structure and transport properties in carbon-based molecular conductorsCordes, A. WallaceInternational Journal of Quantum Chemistry2003
The ene reaction: Comparison of results of Hartree-Fock, Moller-Plesset, CASSCF, and DFT calculationsPranata, JuliantoInternational Journal of Quantum Chemistry1997
Half-Projected Hartree-Fock Natural Orbitals for Defining Cas Scf Active SpacesPulay, PeterInternational Journal of Quantum Chemistry1993
The Tautomers of Uracil - a Local Correlation TreatmentPulay, PeterInternational Journal of Quantum Chemistry1993
Variational Formulation and Gradient Evaluation for Coupled Electron Pair Approximations - a Model StudyPulay, PeterInternational Journal of Quantum Chemistry1983
Chemistry, Computers, and Microelectronics: Present and Future ProspectsOstlund, Neil S.International Journal of Quantum Chemistry1979
Interaction Energies between Closed-Shell Systems - Correlation Energy in Random Phase ApproximationOstlund, Neil S.International Journal of Quantum Chemistry1977
Rigid-Rotor Potential Surface for Hydrogen Molecule DimerOstlund, Neil S.International Journal of Quantum Chemistry1977