All Faculty and Research Staff Publications

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2014
Weinhold F, Klein RA. Anti-Electrostatic Hydrogen Bonds. Angewandte Chemie-International Edition. 2014 ;53:11214-11217.
Weinhold F, Schleyer PV, McKee WC. Bay-Type H center dot center dot center dot H "Bonding" in cis-2-Butene and Related Species: QTAIM Versus NBO Description. Journal of Computational Chemistry. 2014 ;35:1499-1508.
Weinhold F. Kinetics and Mechanism of Water Cluster Equilibria. Journal of Physical Chemistry B. 2014 ;118:7792-7798.
Landis CR, Weinhold F. The NBO View of Chemical Bonding. In: Frenking G, Shaik S Chemical Bond: Fundamental Aspects of Chemical Bonding. Chemical Bond: Fundamental Aspects of Chemical Bonding. Wiley; 2014. pp. 91-119.
Clauss AD, Nelsen SF, Ayoub M, Moore JW, Landis CR, Weinhold F. Rabbit-ears hybrids, VSEPR sterics, and other orbital anachronisms. Chemistry Education Research and Practice. 2014 ;15:417-434.
Weinhold F, Klein RA. What is a hydrogen bond? Resonance covalency in the supramolecular domain. Chemistry Education Research and Practice. 2014 ;15:276-285.
2002
DeRider ML, Wilkens SJ, Waddell MJ, Bretscher LE, Weinhold F, Raines RT, Markley JL. 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.
Hansen MJ, Wendt MA, Weinhold F, Farrar TC. Experimental and theoretical spin-spin coupling constants for N-15 formamide. Molecular Physics. 2002 ;100:2807-2814.
Bruch LW, Weinhold F. Nuclear motion and Breit-Pauli corrections to the diamagnetism of atomic helium. Journal of Chemical Physics. 2002 ;117:3243-3247.
Westler WM, Weinhold F, Markley JL. Quantum chemical calculations on structural models of the catalytic site of chymotrypsin: Comparison of calculated results with experimental data from NMR spectroscopy. Journal of the American Chemical Society. 2002 ;124:14373-14381.
Ludwig R, Weinhold F. Quantum Cluster Equilibrium theory of liquids: Isotopically substituted QCE/3-21G model water. Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics. 2002 ;216:659-674.
Wilkens SJ, Westler WM, Weinhold F, Markley JL. Trans-hydrogen-bond (h2)J(NN) and (h1)J(NH) couplings in the DNA A-T base pair: Natural bond orbital analysis. Journal of the American Chemical Society. 2002 ;124:1190-1191.

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