| Ultrafast Quantum Mechanics/Molecular Mechanics Monte Carlo simulations using generalized multipole polarizabilities | Janowski, Tomasz | Chemical Physics Letters | 2012 |
| Ultrafast Quantum Mechanics/Molecular Mechanics Monte Carlo simulations using generalized multipole polarizabilities | Pulay, Peter | Chemical Physics Letters | 2012 |
| Convex-concave stacking of curved conjugated networks: Benchmark calculations on the corannulene dimer | Janowski, Tomasz | Chemical Physics Letters | 2011 |
| Convex-concave stacking of curved conjugated networks: Benchmark calculations on the corannulene dimer | Pulay, Peter | Chemical Physics Letters | 2011 |
| High accuracy benchmark calculations on the benzene dimer potential energy surface | Janowski, Tomasz | Chemical Physics Letters | 2007 |
| High accuracy benchmark calculations on the benzene dimer potential energy surface | Pulay, Peter | Chemical Physics Letters | 2007 |
| Fock matrix dynamics | Pulay, Peter | Chemical Physics Letters | 2004 |
| Reply to the comments on 'Efficient calculation of canonical MP2 energies' by A. Kohn and C. Hattig | Baker, Jon | Chemical Physics Letters | 2002 |
| Newtonian molecular dynamics in general curvilinear internal coordinates | Paizs, Béla | Chemical Physics Letters | 2002 |
| Reply to the comments on 'Efficient calculation of canonical MP2 energies' by A. Kohn and C. Hattig | Pulay, Peter | Chemical Physics Letters | 2002 |
| Newtonian molecular dynamics in general curvilinear internal coordinates | Pulay, Peter | Chemical Physics Letters | 2002 |
| Efficient calculation of canonical MP2 energies | Pulay, Peter | Chemical Physics Letters | 2001 |
| Multipole approximation of distant pair energies in local MP2 calculations | Pulay, Peter | Chemical Physics Letters | 1998 |
| Considerations regarding the local treatment of laplace transform MPPT | Pulay, Peter | Chemical Physics Letters | 1996 |
| Considerations regarding the local treatment of laplace transform MPPT | Rauhut, Guntram | Chemical Physics Letters | 1996 |
| An accurate in-plane force field for porphine. A scaled quantum mechanical study | Kozlowski, Pawel M. | Chemical Physics Letters | 1995 |
| Chemical-Shift Anisotropies in Silicon-Containing 3-Membered Rings - an Ab-Initio Study | Magyarfalvi, Gabor | Chemical Physics Letters | 1995 |
| An accurate in-plane force field for porphine. A scaled quantum mechanical study | Pulay, Peter | Chemical Physics Letters | 1995 |
| Chemical-Shift Anisotropies in Silicon-Containing 3-Membered Rings - an Ab-Initio Study | Pulay, Peter | Chemical Physics Letters | 1995 |
| Can (Semi)Local Density-Functional Theory Account for the London Dispersion Forces | Kristyan, Sandor | Chemical Physics Letters | 1994 |
| Basis-Set and Correlation-Effects in the Calculation of Selenium Nmr Shieldings | Magyarfalvi, Gabor | Chemical Physics Letters | 1994 |
| Can (Semi)Local Density-Functional Theory Account for the London Dispersion Forces | Pulay, Peter | Chemical Physics Letters | 1994 |
| Basis-Set and Correlation-Effects in the Calculation of Selenium Nmr Shieldings | Pulay, Peter | Chemical Physics Letters | 1994 |
| Structures of Phx (X = O and N) - Importance of Polarization Functions in the Basis Set. | Liu, Ruifeng | Chemical Physics Letters | 1993 |
| Cyclopentadienylideneketene - Theoretical Confirmation of a Key Infrared Band - Comment. | Liu, Ruifeng | Chemical Physics Letters | 1993 |
| Structures of Phx (X = O and N) - Importance of Polarization Functions in the Basis Set. | Zhou, Xuefeng | Chemical Physics Letters | 1993 |
| Cyclopentadienylideneketene - Theoretical Confirmation of a Key Infrared Band - Comment. | Zhou, Xuefeng | Chemical Physics Letters | 1993 |
| Geometry, Force-Field, and Fundamental Frequencies of 4a,4b-Dihydrophenanthrene, a Scaled Quantum-Mechanical Force-Field Study. | Liu, Ruifeng | Chemical Physics Letters | 1992 |
| Geometry, Force-Field, and Fundamental Frequencies of 4a,4b-Dihydrophenanthrene, a Scaled Quantum-Mechanical Force-Field Study. | Zhou, Xuefeng | Chemical Physics Letters | 1992 |
| Natural Charge-Densities for the Evaluation of Mc-Scf Energy Derivatives without Density-Matrix Transformation | Pulay, Peter | Chemical Physics Letters | 1989 |
| Consistent Generalization of the Moller-Plesset Partitioning to Open-Shell and Multiconfigurational Scf Reference States in Many-Body Perturbation-Theory | Pulay, Peter | Chemical Physics Letters | 1987 |
| Consistent Generalization of the Moller-Plesset Partitioning to Open-Shell and Multiconfigurational Scf Reference States in Many-Body Perturbation-Theory | Sellers, Harrell Lee | Chemical Physics Letters | 1987 |
| The Ring Puckering Potential of Oxetane - Local Correlation Results | Pulay, Peter | Chemical Physics Letters | 1986 |
| A Test of the Approximate Coupled Cluster Doubles Approximation | Pulay, Peter | Chemical Physics Letters | 1986 |
| The Ring Puckering Potential of Oxetane - Local Correlation Results | Saebo, Svein | Chemical Physics Letters | 1986 |
| The Ring Puckering Potential of Oxetane - Local Correlation Results | Sellers, Harrell Lee | Chemical Physics Letters | 1986 |
| Secondary Hydrogen-Bonding Effects on the Nuclear Magnetic Shielding of the Hydrogen Nuclei in Ice - an Abinitio Quantum-Mechanical Study | Hinton, James F. | Chemical Physics Letters | 1985 |
| Variational Cepa - Comparison with Different Many-Body Methods | Pulay, Peter | Chemical Physics Letters | 1985 |
| Local Configuration-Interaction - an Efficient Approach for Larger Molecules | Pulay, Peter | Chemical Physics Letters | 1985 |
| Variational Cepa - Comparison with Different Many-Body Methods | Saebo, Svein | Chemical Physics Letters | 1985 |
| Local Configuration-Interaction - an Efficient Approach for Larger Molecules | Saebo, Svein | Chemical Physics Letters | 1985 |
| The Adiabatic Correction to Molecular-Potential Surfaces in the Scf Approximation | Pulay, Peter | Chemical Physics Letters | 1984 |
| The Adiabatic Correction to Molecular-Potential Surfaces in the Scf Approximation | Sellers, Harrell Lee | Chemical Physics Letters | 1984 |
| Localizability of Dynamic Electron Correlation | Pulay, Peter | Chemical Physics Letters | 1983 |
| Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of 2 Low-Energy Forms of Unionized Serine | Scarsdale, J. N. | Chemical Physics Letters | 1981 |
| Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of 2 Low-Energy Forms of Unionized Serine | Schäfer, Lothar | Chemical Physics Letters | 1981 |
| Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of 2 Low-Energy Forms of Unionized Serine | Sellers, Harrell Lee | Chemical Physics Letters | 1981 |
| Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of 2 Low-Energy Forms of Unionized Serine | vanAlsenoy, Christian | Chemical Physics Letters | 1981 |
| Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of Some Hydrogen-Fluoride Clusters | Schäfer, Lothar | Chemical Physics Letters | 1980 |
| Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of Some Hydrogen-Fluoride Clusters | Sellers, Harrell Lee | Chemical Physics Letters | 1980 |
| Abinitio Studies of Structural Features Not Easily Amenable to Experiment - the Molecular-Structures of Some Hydrogen-Fluoride Clusters | Swepston, Paul Nathan | Chemical Physics Letters | 1980 |
| Perturbation Calculation of Atomic Correlation Energies for the 1st Transition Period | Blyholder, George D. | Chemical Physics Letters | 1979 |
| Perturbation Calculation of Atomic Correlation Energies for the 1st Transition Period | Ostlund, Neil S. | Chemical Physics Letters | 1979 |
| Normal Coordinate Abinitio Calculations of Cubic Anharmonicity Constants | Pinegar, J. F. | Chemical Physics Letters | 1979 |
| Abinitio Equilibrium Structures of Unionized Amino-Acids - Alanine | Schäfer, Lothar | Chemical Physics Letters | 1979 |
| Normal Coordinate Abinitio Calculations of Cubic Anharmonicity Constants | Schäfer, Lothar | Chemical Physics Letters | 1979 |
| Abinitio Equilibrium Structures of Unionized Amino-Acids - Alanine | Sellers, Harrell Lee | Chemical Physics Letters | 1979 |
| Normal Coordinate Abinitio Calculations of Cubic Anharmonicity Constants | Sellers, Harrell Lee | Chemical Physics Letters | 1979 |
| Normal Coordinate Abinitio Force Relaxation | Klimkowski, Valentine Joseph | Chemical Physics Letters | 1978 |
| Normal Coordinate Abinitio Force Relaxation | Schäfer, Lothar | Chemical Physics Letters | 1978 |
| Normal Coordinate Abinitio Force Relaxation | Sellers, Harrell Lee | Chemical Physics Letters | 1978 |
| Abinitio Scf Study of Binding of Li+ to Bases | Briggs, Richard W. | Chemical Physics Letters | 1977 |
| Abinitio Scf Study of Binding of Li+ to Bases | Harpool, Robert Dennis | Chemical Physics Letters | 1977 |
| Abinitio Scf Study of Binding of Li+ to Bases | Hinton, James F. | Chemical Physics Letters | 1977 |
| Ghost Orbitals and Basis Set Extension Effects | Ostlund, Neil S. | Chemical Physics Letters | 1976 |
| Vibrational Rate Enhancement in X(=Cl, Br) + H2 -]Hx + H Reactions | Dosser, Larry Robert | Chemical Physics Letters | 1975 |
| Polyatomic Scattering Integrals with Gaussian Orbitals | Ostlund, Neil S. | Chemical Physics Letters | 1975 |
| Vibrational Rate Enhancement in X(=Cl, Br) + H2 -]Hx + H Reactions | Sims, Leslie B. | Chemical Physics Letters | 1975 |
| Vibrational Rate Enhancement in X(=Cl, Br) + H2 -]Hx + H Reactions | Wilson, Paulette Shoemaker | Chemical Physics Letters | 1975 |
| Generalized Oscillator Strengths for Lowest Pi [- Sigma Transitions in Co and N2 | Ostlund, Neil S. | Chemical Physics Letters | 1972 |
| Increase of Vibrational Atomic Mean-Square Cartesian Displacements by Complexation. | Schäfer, Lothar | Chemical Physics Letters | 1972 |
