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Weinhold F. Variational extensions of lower bounds to expectation values. Physical Review A. 1970 ;1:122-124.
Weinhold F. MASS POLARIZATION AND BREIT-PAULI CORRECTIONS FOR THE POLARIZABILITY OF HE-4. Journal of Physical Chemistry. 1982 ;86:1111-1116.
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.
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. Quantum cluster equilibrium theory of liquids: General theory and computer implementation. Journal of Chemical Physics. 1998 ;109:367-372.
Weinhold F. Variational calculation of continuum corrections to overlap. The Journal of Chemical Physics. 1973 ;59:355-362.
Weinhold F. Comments on Purser's article: "Lewis structures are models for predicting molecular structure, not electronic structure". Journal of Chemical Education. 2005 ;82:NIL_3-NIL_4.
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, 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, 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. Thermodynamics and geometry. Physics Today. 1976 ;29:23-30.
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. 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. Natural Bond Orbital Methods Schreiner PR. 1998 ;3:1792-1811.
Weinhold F. Metric geometry of equilibrium thermodynamics. V. Aspects of heterogeneous equilibrium. The Journal of Chemical Physics. 1976 ;65:559-564.
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. Dickinson energy of H2+. The Journal of Chemical Physics. 1971 ;54:521-529.
Weinhold F. Chemistry: A new twist on molecular shape. Nature. 2001 ;411:539-541.
Weinhold F. Upper and lower bounds to quantum-mechanical sum rules. Journal of Physics A: General Physics. 1968 ;1:655-660.
Weinhold F, Klein RA. Anti-Electrostatic Hydrogen Bonds. Angewandte Chemie-International Edition. 2014 ;53:11214-11217.
Weinhold F. Why Do Cumulene Ketones Kink?. Journal of Organic Chemistry. 2017 ;82:12238-12245.
Weinhold F. Metric geometry of equilibrium thermodynamics. III. Elementary formal structure of a vector-algebraic representation of equilibrium thermodynamics. The Journal of Chemical Physics. 1975 ;63:2488-2495.
Weinhold F, Landis CR. High bond orders in metal-metal bonding. Science. 2007 ;316:61-63.
Weinhold F. Inequalities for multipole dispersion interactions. The Journal of Chemical Physics. 1969 ;50:4136-4137.
Weinhold F, Robinson PD. BIVARIATIONAL CALCULATIONS OF BOUNDS ON COMPLEX-FREQUENCY POLARIZABILITIES. Journal of Chemical Physics. 1978 ;68:2915-2921.
Weinhold F, Landis CR. Valency and bonding : a natural bond orbital donor-acceptor perspective. Cambridge, UK ; New York: Cambridge University Press; 2005 p. ix, 749 p.
Weinhold F. Nature of H-bonding in clusters, liquids, and enzymes: An ab initio, natural bond orbital perspective. Journal of Molecular Structure: THEOCHEM. 1997 ;398-399:181-197.
Weinhold F, West R. Hyperconjugative interactions in permethylated siloxanes and ethers: The nature of the Si-O bond. Journal of the American Chemical Society. 2013 ;135:5762-5767.
Weinhold F. Calculation of upper and lower bounds to oscillator strengths. The Journal of Chemical Physics. 1971 ;54:1874-1881.
Weinhold F, Landis CR. Natural bond orbitals and extensions of localized bonding concepts. Chemistry Education: Research and Practice in Europe. 2001 ;2:91-104.
Weinhold F. Lower bounds to expectation values. Journal of Physics A: General Physics. 1968 ;1:305-313.
Weinhold F. Kinetics and Mechanism of Water Cluster Equilibria. Journal of Physical Chemistry B. 2014 ;118:7792-7798.
Weinhold F. Polyion Covalency: Exotic Species from the Unexplored World of Electrostatically Shielded Molecular Ion Chemistry. Angewandte Chemie-International Edition. 2017 ;56:14577-14581.
Weinhold F. Metric geometry of equilibrium thermodynamics. II. Scaling, homogeneity, and generalized Gibbs-Duhem relations. The Journal of Chemical Physics. 1975 ;63:2484-2487.
Weinhold F, West R. The nature of the silicon-oxygen bond. Organometallics. 2011 ;30:5815-5824.
Weinhold F. Variational upper and lower bounds to dipole transition moments. Physical Review Letters. 1970 ;25:907-909.
Weinhold F. VARIATION-PERTURBATION APPROACH TO COMPLEX EIGENVALUES OF RESONANCE STATES. Journal of Physical Chemistry. 1979 ;83:1517-1520.
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, Landis CR. Discovering Chemistry With Natural Bond Orbitals. Hoboken, NJ: Wiley; 2012.
Weinhold F. Quantum cluster equilibrium theory of liquids: Illustrative application to water. Journal of Chemical Physics. 1998 ;109:373-384.
Weinhold F, Chinen AB. Variational wavefunctions for H2+. The Journal of Chemical Physics. 1972 ;56:3798-3801.
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.

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