All Faculty and Research Staff Publications

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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.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids: temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ethanol. Molecular Physics. 1999 ;97:479-486.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids: molecular clusters and thermodynamics of liquid ethanol. Molecular Physics. 1999 ;97:465-477.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids part II: Temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ammonia. Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics. 1998 ;102:205-212.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids part I: Molecular clusters and thermodynamics of liquid ammonia. Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics. 1998 ;102:197-204.
Ludwig R, Reis O, Winter R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids: Temperature dependence of hydrogen bonding in liquid N-methylacetamide studied by IR spectra. Journal of Physical Chemistry B. 1998 ;102:9312-9318.
Ludwig R, Weinhold F, Farrar TC. Theoretical study of hydrogen bonding in liquid and gaseous N-methylformamide. Journal of Chemical Physics. 1997 ;107:499-507.
Ludwig R, Weinhold F, Farrar TC. Structure of liquid N-methylacetamide: Temperature dependence of NMR chemical shifts and quadrupole coupling constants. Journal of Physical Chemistry A. 1997 ;101:8861-8870.
Ludwig R, Weinhold F, Farrar TC. Effective O-17 quadrupole moments for the calibrated computation of quadrupole coupling parameters at different levels of theory. Journal of Chemical Physics. 1996 ;105:8223-8230.
Ludwig R, Weinhold F, Farrar TC. EXPERIMENTAL AND THEORETICAL-STUDIES OF HYDROGEN-BONDING IN NEAT, LIQUID FORMAMIDE. Journal of Chemical Physics. 1995 ;102:5118-5125.
Ludwig R, Weinhold F, Farrar TC. TEMPERATURE-DEPENDENCE OF HYDROGEN-BONDING IN NEAT, LIQUID FORMAMIDE. Journal of Chemical Physics. 1995 ;103:3636-3642.
Ludwig R, Weinhold F, Farrar TC. EXPERIMENTAL AND THEORETICAL DETERMINATION OF THE TEMPERATURE-DEPENDENCE OF DEUTERON AND OXYGEN QUADRUPOLE COUPLING-CONSTANTS OF LIQUID WATER. Journal of Chemical Physics. 1995 ;103:6941-6950.
Ludwig R, Behler J, Klink B, Weinhold F. Molecular composition of liquid sulfur. Angewandte Chemie - International Edition. 2002 ;41:3199-3202.
Ludwig R, Weinhold F. Quantum cluster equilibrium theory of liquids: Light and heavy QCE/3-21G model water. Physical Chemistry Chemical Physics. 2000 ;2:1613-1619.
Ludwig R, Weinhold F. Quantum cluster equilibrium theory of liquids: Freezing of QCE/3-21G water to tetrakaidecahedral "bucky-ice". Journal of Chemical Physics. 1999 ;110:508-515.
Ludwig R, Weinhold F, Farrar TC. Temperature dependence of hydrogen bonding in neat, liquid formamide. Physics of Fluids. 1967 ;10:3636-3642.