All Faculty and Research Staff Publications

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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. 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. Criteria of accuracy of approximate wavefunctions. Journal of Mathematical Physics. 1970 ;11:2127-2138.
Weinhold F, Carpenter JE. SOME REMARKS ON NONORTHOGONAL ORBITALS IN QUANTUM-CHEMISTRY. Theochem-Journal of Molecular Structure. 1988 ;42:189-202.
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, Klein RA. Improved General Understanding of the Hydrogen-Bonding Phenomena: A Reply. Angewandte Chemie-International Edition. 2015 ;54:2600-2602.
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. Resonance Character of Hydrogen-bonding Interactions in Water and Other H-bonded Species. Advances in Protein Chemistry. 2005 ;72:121-155.
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. Natural bond orbital analysis of photochemical excitation, with illustrative applications to vinoxy radical. Computational Methods In Photochemistry. 2005 ;13:393-476.
Weinhold F. New formulas for lower bounds to expectation values. Physical Review. 1969 ;183:142-147.
Weinhold F, Brunck TK. PRINCIPLE OF MAXIMUM OVERLAP. Journal of the American Chemical Society. 1976 ;98:3745-3749.
Weinhold F, Glendening ED. Comment on "Natural Bond Orbitals and the Nature of the Hydrogen Bond". J Phys Chem A. 2018 ;122:724-732.
Weinhold F. Natural Bond Orbital Methods Schreiner PR. 1998 ;3:1792-1811.
Weinhold F, Wang PSC. On a formula of Braun and Rebane for variational bounds to overlap. International Journal of Quantum Chemistry. 1971 ;5:215-220.
Weinhold F, Klein RA. What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactions. Molecular Physics. 2012 ;110:565-579.
Weinhold F. Metric geometry of equilibrium thermodynamics. V. Aspects of heterogeneous equilibrium. The Journal of Chemical Physics. 1976 ;65:559-564.

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