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] . Classical and Geometrical Theory of Chemical and Phase Thermodynamics. John Wiley; 2009 p. 490.
. Discovering Chemistry With Natural Bond Orbitals. Wiley; 2012.
. Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective. Cambridge, U.K.: Cambridge University Press,; 2005 p. 760.
. 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.
. Low frequency torsional and vibrational motions in toluene+, phenylsilane+, and benzyl+: experiments and ab initio calculations. In: Current Topics in Ion Chemistry and Physics, Vol. IV: Highly Resolved Laser Photoionization and Photoelectron Studies. Current Topics in Ion Chemistry and Physics, Vol. IV: Highly Resolved Laser Photoionization and Photoelectron Studies. Wiley & Sons; 1995.
. Low-frequency Torsional and Vibrational Motions in Toluene+, Phenylsilane+, and Benzyl+: Experiments and Ab Initio Calculations. In: High Resolution Laser Photoionization and Photoelectron Studies. High Resolution Laser Photoionization and Photoelectron Studies. New York: Wiley; 1995. pp. 331-367.
. 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.
. 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.
. 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.
. Natural Bond Orbitals and Lewis-like Structures of Cu Blue Proteins. In: Modeling of Molecular Properties. Modeling of Molecular Properties. Wiley; 2011.
. Natural Hybrid Orbitals: Ab Initio SCF and CI Results for CO and NiCO. In: Intern. J. Quantum Chem. Symp. Intern. J. Quantum Chem. Symp. ; 1980. pp. 201-209.
. 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.
. 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.
. Resonance Character of Hydrogen-Bonding Interactions in Water and Other H-Bonded Species. In: Peptide Solvation and H-Bonds: Advances in Protein Chemistry. Vol. 72. Peptide Solvation and H-Bonds: Advances in Protein Chemistry. Elsevier; 2006. pp. 121-155.
. 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.
. THE 2AG EXCITED-STATE OF (CO)2+. Journal of Chemical Physics. 1988;88:1467-1468.
. 9-(9-BORABICYCLO 3.3.1 NONYL)-9-AZABICYCLO 3.3.1 NONANE RADICAL CATION - A FAILURE OF BREDT RULE KINETIC STABILIZATION. Journal of Organic Chemistry. 1980;45:2116-2119.
. Ab initio and regularized force fields of haloethanes: CH[sub 3]CH[sub 2]Cl, CH[sub 3]CHCl[sub 2], CH[sub 3]CF[sub 2]Cl, and CH[sub 3]CFCl[sub 2]. The Journal of Chemical Physics. 1998;109:7286-7299.
. AB-INITIO CALCULATIONS OF PROTIUM DEUTERIUM FRACTIONATION FACTORS IN O2H5+ CLUSTERS. Journal of Physical Chemistry. 1995;99:8013-8016.
. Accurate Structure and Dynamics of the Metal-Site of Paramagnetic Metalloproteins from NMR Parameters Using Natural Bond Orbitals. Journal of the American Chemical Society. 2012;134:4670-4682.
. ANALYSIS OF THE GEOMETRY OF THE HYDROXYMETHYL RADICAL BY THE DIFFERENT HYBRIDS FOR DIFFERENT SPINS NATURAL BOND ORBITAL PROCEDURE. Journal of Molecular Structure-Theochem. 1988;46:41-62.
. ANTISYMMETRIZATION EFFECTS IN BOND-ORBITAL MODELS OF INTERNAL-ROTATION BARRIERS. Journal of Chemical Physics. 1980;72:2866-2868.
. BIVARIATIONAL CALCULATIONS OF BOUNDS ON COMPLEX-FREQUENCY POLARIZABILITIES. Journal of Chemical Physics. 1978;68:2915-2921.
. Blue-Shifted and Red-Shifted Hydrogen Bonds in Hypervalent Rare-Gas FRg−H···Y Sandwiches. The Journal of Physical Chemistry A. 2004;108:4720-4730.
. BOND-ANTIBOND ANALYSIS OF INTERNAL-ROTATION BARRIERS IN GLYOXAL AND RELATED MOLECULES - WHERE INDO FAILS. International Journal of Quantum Chemistry. 1981;19:781-791.
. BORON OXIDES - ABINITIO STUDIES WITH NATURAL BOND ORBITAL ANALYSIS. Journal of Chemical Physics. 1993;98:1329-1335.
. Bounds to the lifetime of the Ar XVII $2 ^{3}S$ state. Phys. Rev. A. 1975;11:442–445.
. CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS WITH AB-INITIO MOLECULAR-ORBITAL WAVE-FUNCTIONS. Journal of Physical Chemistry. 1993;97:11657-11665.
. Calculation of Upper and Lower Bounds to Oscillator Strengths. The Journal of Chemical Physics. 1971;54:1874-1881.
. Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data. J Biomol NMR. 1994;4(4):519-42.
. Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data. Journal of Biomolecular NMR. 1994;4:519-542.
. Characterization of the methoxy carbonyl radical formed via photolysis of methyl chloroformate at 193.3 nm. Journal of Physical Chemistry A. 2007;111:1762-1770.
. Chemical Bonding as a Superposition Phenomenon. Journal of Chemical Education. 1999;76:1141.
. Chemistry: A new twist on molecular shape. Nature (London, United Kingdom). 2001;411:539-541.
. Collagen stability: Insights from NMR spectroscopic and hybrid density functional computational investigations of the effect of electronegative substituents on prolyl ring conformations. Journal of the American Chemical Society. 2002;124:2497-2505.
. Collagen stability: insights from NMR spectroscopic and hybrid density functional computational investigations of the effect of electronegative substituents on prolyl ring conformations. J Am Chem Soc. 2002;124(11):2497-505.
. Comments on "Is It Time To Retire the Hybrid Atomic Orbital?". Journal of Chemical Education. 2012;89:570-572.
. COMMON TEXTBOOK AND TEACHING MISREPRESENTATIONS OF LEWIS STRUCTURES. Journal of Chemical Education. 1995;72:583-586.
. COMPLEX-COORDINATE CALCULATIONS WITH COMPLEX BASIS-SETS. Physical Review A. 1981;24:1254-1259.
. COMPLEX-COORDINATE STUDIES OF HELIUM AUTO-IONIZING RESONANCES. International Journal of Quantum Chemistry. 1978;14:727-736.
. Conceptual model of "through-bonds" interactions. Journal of the American Chemical Society. 1976;98:4392-4393.
. Constraints on the values of force constants for molecular force field models based on ab initio calculations. Journal of Molecular Structure. 1997;410–411:457 - 461.
. COUPLING OF INTERNAL ROTATIONS IN PROPANE-LIKE MOLECULES. International Journal of Quantum Chemistry. 1982;21:487-509.
. Criteria of Accuracy of Approximate Wavefunctions. Journal of Mathematical Physics. 1970;11:2127-2138.
. CRITERIA OF ACCURACY OF RESONANCE EIGENVALUES. International Journal of Quantum Chemistry. 1980;17:1201-1211.
. Critical test of quantum cluster equilibrium theory: Formic acid at B3LYP/6-31+G* hybrid density functional level. Journal of Chemical Physics. 1998;109:5945-5947.
. Determination of the Conformation of 2-Hydroxy- and 2-Aminobenzoic Acid Dimers Using 13C NMR and Density Functional Theory/Natural Bond Order Analysis: The Central Importance of the Carboxylic Acid Carbon. Journal of Physical Chemistry A. 2006;110:8832-8839.
. Diamagnetism of helium. The Journal of Chemical Physics. 2000;113:8667-8670.
. Dickinson Energy of H[sub 2][sup + ]. The Journal of Chemical Physics. 1971;54:530-532.
. Dipole oscillator strengths, with rigorous limits of error, for He and Li+. Phys. Rev. A. 1974;9:118–128.
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