University Libraries

Chemistry and Biochemistry Library

CHBC Faculty Publications

Browse all authors | Browse all journals

Filter by publication type Include all types of publications Show journal articles only Show conference proceedings only Show patents only Show books only Show abstracts only

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