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] . High bond orders in metal-metal bonding. Science. 2007;316:61-63.
. PRINCIPLE OF MAXIMUM OVERLAP. Journal of the American Chemical Society. 1976;98:3745-3749.
. BIVARIATIONAL CALCULATIONS OF BOUNDS ON COMPLEX-FREQUENCY POLARIZABILITIES. Journal of Chemical Physics. 1978;68:2915-2921.
. VARIATION-PERTURBATION APPROACH TO COMPLEX EIGENVALUES OF RESONANCE STATES. Journal of Physical Chemistry. 1979;83:1517-1520.
. MASS POLARIZATION AND BREIT-PAULI CORRECTIONS FOR THE POLARIZABILITY OF HE-4. Journal of Physical Chemistry. 1982;86:1111-1116.
. SOME REMARKS ON NONORTHOGONAL ORBITALS IN QUANTUM-CHEMISTRY. Theochem-Journal of Molecular Structure. 1988;42:189-202.
. Chemistry: A new twist on molecular shape. Nature (London, United Kingdom). 2001;411:539-541.
. Natural bond orbitals and extensions of localized bonding concepts. Chemistry Education: Research and Practice in Europe. 2001;2:91-104.
. The Nature of the Silicon-Oxygen Bond. Organometallics. 2011;30:5815-5824.
. What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactions. Molecular Physics. 2012;110:565-579.
. NATURAL BOND ORBITALS AND EXTENSIONS OF LOCALIZED BONDING CONCEPTS. Chem. Educ. Res. Pract. [Internet]. 2001;2:91-104. Available from: http://dx.doi.org/10.1039/B1RP90011K
. Improved Lower Bounds to the Overlap Integral of an Approximate Wavefunction with the True Wavefunction. The Journal of Chemical Physics. 1967;46:2448-2449.
. Reduced Density Matrices of Atoms and Molecules. I. The 2 Matrix of Double-Occupancy, Configuration-Interaction Wavefunctions for Singlet States. The Journal of Chemical Physics. 1967;46:2752-2758.
. Reduced Density Matrices of Atoms and Molecules. II. On the N-Representability Problem. The Journal of Chemical Physics. 1967;47:2298-2311.
. N-Representability and the Pauli Exclusion Principle for Fermion Pair Distributions. In: Reduced Density Matrices with Applications to Physical and Chemical Systems. Vol. 11. Reduced Density Matrices with Applications to Physical and Chemical Systems. Kingston, Ontario, Canada: Queen’s University; 1968. pp. 71-82.
. Lower bounds to expectation values. Journal of Physics A: General Physics. 1968;1:305.
. Improved lower bounds to expectation values. Journal of Physics A: General Physics. 1968;1:535.
. Upper and lower bounds to quantum-mechanical sum rules. Journal of Physics A: General Physics. 1968;1:655.
. Upper and lower bounds to the van der Waals interactions between atoms. Journal of Physics B: Atomic and Molecular Physics. 1969;2:517.
. Remark on lower bounds to eigenvalues. International Journal of Quantum Chemistry. 1969;3:751–751.
. Inequalities for Multipole Dispersion Interactions. The Journal of Chemical Physics. 1969;50:4136-4137.
. New Formulas for Lower Bounds to Expectation Values. Phys. Rev. 1969;183:142–147.
. Variational Extensions of Lower Bounds to Expectation Values. Phys. Rev. A. 1970;1:122–124.
. Criteria of Accuracy of Approximate Wavefunctions. Journal of Mathematical Physics. 1970;11:2127-2138.
. Variational Upper and Lower Bounds to Dipole Transition Moments. Phys. Rev. Lett. 1970;25:907–909.
. Dickinson Energy of H[sub 2][sup + ]. The Journal of Chemical Physics. 1971;54:530-532.
. On a formula of Braun and Rebane for variational bounds to overlap. International Journal of Quantum Chemistry. 1971;5:215–220.
. Calculation of Upper and Lower Bounds to Oscillator Strengths. The Journal of Chemical Physics. 1971;54:1874-1881.
. Remarks on the calculation of upper and lower limits to quantum-mechanical properties. International Journal of Quantum Chemistry. 1971;5:721–728.
. Upper and Lower Bounds to Quantum-Mechanical Properties. In: Advances in Quantum Chemistry. Vol. 6. Advances in Quantum Chemistry. New York: Academic Press; 1972. pp. 299-331.
. Electric Polarizabilities of Two-Electron Atoms by a Lower-Bound Procedure. Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences. 1972;327:209-227.
. Variational Wavefunctions for H[sub 2][sup +]. The Journal of Chemical Physics. 1972;56:3798-3801.
. Variational calculation of continuum corrections to overlap. The Journal of Chemical Physics. 1973;59:355-362.
. Metric geometry of equilibrium thermodynamics. The Journal of Chemical Physics. 1975;63:2479-2483.
. Metric geometry of equilibrium thermodynamics. II. Scaling, homogeneity, and generalized Gibbs–Duhem relations. The Journal of Chemical Physics. 1975;63:2484-2487.
. Metric geometry of equilibrium thermodynamics. III. Elementary formal structure of a vector-algebraic representation of equilibrium thermodynamics. The Journal of Chemical Physics. 1975;63:2488-2495.
. Metric geometry of equilibrium thermodynamics. IV. Vector-algebraic evaluation of thermodynamic derivatives. The Journal of Chemical Physics. 1975;63:2496-2501.
. Thermodynamics and geometry. Physics Today. 1976;29:23-30.
. Geometric representation of equilibrium thermodynamics. Accounts of Chemical Research. 1976;9:236-240.
. Metric geometry of equilibrium thermodynamics. V. Aspects of heterogeneous equilibrium. The Journal of Chemical Physics. 1976;65:559-564.
. Partitioning Technique for Determinantal Equations. In: Quantum Science, A Tribute to Per-Olov Löwdin. Quantum Science, A Tribute to Per-Olov Löwdin. New York: Plenum; 1976. pp. 307-314.
. Geometrical Aspects of Equilibrium Thermodynamics. In: Theoretical Chemistry: Advances and Perspectives. Vol. 3. Theoretical Chemistry: Advances and Perspectives. New York: Academic Press; 1978. pp. 15-54.
. The Natural Bond Orbital Lewis Structure Concept for Molecules, Radicals, and Radical Ions. In: Proceedings of the International Workshop on the Structure of Small Molecules and Ions. Proceedings of the International Workshop on the Structure of Small Molecules and Ions. New York: Plenum; 1988. pp. 227-236.
. Nature of H-bonding in clusters, liquids, and enzymes: an ab initio, natural bond orbital perspective. Journal of Molecular Structure: THEOCHEM. 1997;398–399:181 - 197.
. Natural Bond Orbital Methods. In: Encyclopedia of Computational Chemistry. Vol. 3. Encyclopedia of Computational Chemistry. Chichester, U.K.: John Wiley & Sons,; 1998. pp. 1792-1811.
. Quantum cluster equilibrium theory of liquids: General theory and computer implementation. The Journal of Chemical Physics. 1998;109:367-372.
. Chemical Bonding as a Superposition Phenomenon. Journal of Chemical Education. 1999;76:1141.
. Rebuttal to the Bickelhaupt–Baerends Case for Steric Repulsion Causing the Staggered Conformation of Ethane. Angewandte Chemie International Edition. 2003;42:4188–4194.
. Natural Bond Orbital Analysis of Photochemical Excitation, With Illustrative Applications to Vinoxy Radical. In: Computational Methods in Organic Photochemistry: Molecular and Supramolecular Photochemistry. Computational Methods in Organic Photochemistry: Molecular and Supramolecular Photochemistry. Taylor & Francis; 2005. pp. 393-476.
. Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective. Cambridge, U.K.: Cambridge University Press,; 2005 p. 760.
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