All Faculty and Research Staff Publications

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Weinhold F. Variational upper and lower bounds to dipole transition moments. Physical Review Letters. 1970 ;25:907-909.
Weinhold F, Landis CR. Discovering Chemistry With Natural Bond Orbitals. Hoboken, NJ: Wiley; 2012.
Weinhold F. Theoretical Prediction of Robust Second-Row Oxyanion Clusters in the Metastable Domain of Antielectrostatic Hydrogen Bonding. Inorganic Chemistry. 2018 ;57:2035-2044.
Weinhold F. Quantum cluster equilibrium theory of liquids: Illustrative application to water. Journal of Chemical Physics. 1998 ;109:373-384.
Weinhold F. Electric Polarizabilities of Two-Electron Atoms by a Lower-Bound Procedure. 1972 ;327:209-227.
Weinhold F. Rebuttal to the Bickelbaupt-Baerends case for steric repulsion causing the staggered conformation of ethane. Angewandte Chemie-International Edition. 2003 ;42:4188-4194.
Weinhold F, Chinen AB. Variational wavefunctions for H2+. The Journal of Chemical Physics. 1972 ;56:3798-3801.
Weinhold F, Klein RA. What is a hydrogen bond? Resonance covalency in the supramolecular domain. Chemistry Education Research and Practice. 2014 ;15:276-285.
Weinhold F. Improved lower bounds to expectation values. Journal of Physics A: General Physics. 1968 ;1:535-538.
Weinhold F. Chemical bonding as a superposition phenomenon. Journal of Chemical EducationJournal of Chemical Education. 1999 ;76:1141-1146.
Weinhold F. Remarks on the calculation of upper and lower limits to quantum-mechanical properties. International Journal of Quantum Chemistry. 2009 ;5:721-728.
Weinhold F. Improved Lower Bounds to the Overlap Integral of an Approximate Wavefunction with the True Wavefunction. The Journal of Chemical Physics. 1967 ;46:2448-2449.
Weinhold F. Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives. Journal of Computational Chemistry. 2012 ;33:2363-2379.
Weinhold F. Metric geometry of equilibrium thermodynamics. The Journal of Chemical Physics. 1975 ;63:2479-2483.
Weinhold F. MASS POLARIZATION AND BREIT-PAULI CORRECTIONS FOR THE POLARIZABILITY OF HE-4. Journal of Physical Chemistry. 1982 ;86:1111-1116.
Weinhold F. Variational extensions of lower bounds to expectation values. Physical Review A. 1970 ;1:122-124.
Weinhold F, Landis CR, Glendening ED. What is NBO analysis and how is it useful?. International Reviews in Physical Chemistry. 2016 ;35:399-440.
Weinhold F, Jr EBWilson. Reduced density matrices of atoms and molecules. II. On the N-representability problem. The Journal of Chemical Physics. 1967 ;47:2298-2311.