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Title
UA Author
Publication Name
Year
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
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