All Faculty and Research Staff Publications

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Weinhold F. Variational calculation of continuum corrections to overlap. The Journal of Chemical Physics. 1973 ;59:355-362.
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. Upper and lower bounds to the van der Waals interactions between atoms. Journal of Physics B: Atomic and Molecular Physics. 1969 ;2:517-520.
Weinhold F, Carpenter JE. The Natural Bond Orbital Lewis Structure Concept for Molecules, Radicals, and Radical Ions. In: Naaman R, Vager Z Springer; 1988. pp. 227-236.
Weinhold F. Hunting Chemistry with Henry Bent. International Journal of Chemical Modeling. 2016 ;8:265-279.
Weinhold F. Natural bond critical point analysis: Quantitative relationships between natural bond orbital-based and QTAIM-based topological descriptors of chemical bonding. Journal of Computational Chemistry. 2012 ;33:2440-2449.
Weinhold F. Thermodynamics and geometry. Physics Today. 1976 ;29:23-30.
Weinhold F. Remark on lower bounds to eigenvalues. International Journal of Quantum Chemistry. 1969 ;3:371-373.
Weinhold F, Carpenter JE. SOME REMARKS ON NONORTHOGONAL ORBITALS IN QUANTUM-CHEMISTRY. Theochem-Journal of Molecular Structure. 1988 ;42:189-202.
Weinhold F. Criteria of accuracy of approximate wavefunctions. Journal of Mathematical Physics. 1970 ;11:2127-2138.
Weinhold F, Klein RA. Improved General Understanding of the Hydrogen-Bonding Phenomena: A Reply. Angewandte Chemie-International Edition. 2015 ;54:2600-2602.
Weinhold F, Jr EBWilson. 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.
Weinhold F. Resonance Character of Hydrogen-bonding Interactions in Water and Other H-bonded Species. Advances in Protein Chemistry. 2005 ;72:121-155.
Weinhold F. Geometrical Aspects of Equilibrium Thermodynamics. In: Eyring H, Henderson D Vol. 3. New York, NY: Academic Press; 1978. pp. 15-54.
Weinhold F. Natural bond orbital analysis of photochemical excitation, with illustrative applications to vinoxy radical. Computational Methods In Photochemistry. 2005 ;13:393-476.
Weinhold F. Metric geometry of equilibrium thermodynamics. IV. Vector-algebraic evaluation of thermodynamic derivatives. The Journal of Chemical Physics. 1975 ;63:2496-2501.
Weinhold F, Brunck TK. PRINCIPLE OF MAXIMUM OVERLAP. Journal of the American Chemical Society. 1976 ;98:3745-3749.
Weinhold F. New formulas for lower bounds to expectation values. Physical Review. 1969 ;183:142-147.