All Department Publications

Found 66 results
Author Title Type [ Year(Asc)]
Filters: Author is Farrar, T. C.  [Clear All Filters]
2007
Goodnough JA, Goodrich L, Farrar TC. Dynamics of dilute water in carbon tetrachloride. Journal of Physical Chemistry A. 2007;111:6146-6150.
2005
Ropp J, Lawrence C, Farrar TC, Skinner JL. Rotational motion in liquid water is anisotropic: A nuclear magnetic resonance and molecular dynamics simulation study. Journal of the American Chemical Society. 2005;351:2244-2250.
2002
Hansen MJ, Wendt MA, Weinhold F, Farrar TC. Experimental and theoretical spin-spin coupling constants for [15N] formamide. Molecular Physics. 2002;100:2807-2814.
2000
Ferris TD, Farrar TC. The concentration and temperature dependence of the deuterium quadrupole coupling parameter and rotational correlation time of ethanol-carbon tetrachloride binary mixtures. Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics. 2000;214:1659-1670.
Ferris TD, Zeidler MD, Farrar TC. The concentration dependence of the proton chemical shift and the deuterium quadrupole coupling parameter for binary solutions of ethanol. Molecular Physics. 2000;98:737-744.
Hansen MJ, Wendt MA, Farrar TC. Temperature dependence of the deuterium quadrupole coupling constants and the correlation times for neat formamide. Journal of Physical Chemistry A. 2000;104:5328-5334.
1999
Farrar TC, Wendt MA, Zeidler MD. Oxygen-17-induced proton relaxation rates for alcohols and alcohol solutions. Journal of the Brazilian Chemical Society. 1999;10:321-325.
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: temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ethanol. Molecular Physics. 1999;97:479-486.
Wendt MA, Zeidler MD, Farrar TC. The temperature dependence of the deuterium quadrupole coupling constant and the molecular rotational correlation time in liquid methanol. Molecular Physics. 1999;97:753-756.
1998
Stringfellow TC, Farrar TC. Applications of Redfield relaxation theory: Transverse relaxation of weakly coupled spin-pair systems. Concepts in Magnetic Resonance. 1998;10:261-273.
Wendt MA, Weinhold F, Farrar TC. Critical test of quantum cluster equilibrium theory: Formic acid at B3LYP/6-31+G* hybrid density functional level. Journal of Chemical Physics. 1998;109:5945-5947.
Wendt MA, Farrar TC. An indirect method for the measurement of deuterium quadrupole coupling constants in liquids. Molecular Physics. 1998;95:1077-1081.
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, 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, 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.
Wendt MA, Meiler J, Weinhold F, Farrar TC. Solvent and concentration dependence of the hydroxyl chemical shift of methanol. Molecular Physics. 1998;93:145-151.
1997
Sykes D, Kubicki JD, Farrar TC. Molecular orbital calculation of Al-27 and Si-29 NMR parameters in Q(3) and Q(4) aluminosilicate molecules and implications for the interpretation of hydrous aluminosilicate glass NMR spectra. Journal of Physical Chemistry A. 1997;101:2715-2722.
Bohmann JA, Weinhold F, Farrar TC. Natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations. Journal of Chemical Physics. 1997;107:1173-1184.
Stringfellow TC, Farrar TC. NMR chemical shift temperature dependence of isocyanomethane. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy. 1997;53:2425-2433.
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.
Ferris TD, Lee PT, Farrar TC. Synthesis of propiolamide and H-1, C-13 and N-15 NMR spectra of formamide, acetamide and propiolamide. Magnetic Resonance in Chemistry. 1997;35:571-576.
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.
1996
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.
Bohmann J, Farrar TC. Natural bond orbital analysis of carbon-13 chemical shieldings in acetylenes. Journal of Physical Chemistry. 1996;100:2646-2651.
1995
Ludwig R, Bohmann J, Farrar TC. CORRELATION TIMES AND QUADRUPOLE COUPLING-CONSTANTS IN NEAT, LIQUID FORMAMIDE. Journal of Physical Chemistry. 1995;99:9681-9686.
Stringfellow TC, Farrar TC. A DIRECT METHOD FOR THE MEASUREMENT OF MOLECULAR CORRELATION TIMES IN SOLUTION. Journal of Physical Chemistry. 1995;99:3889-3891.
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, Weinhold F, Farrar TC. EXPERIMENTAL AND THEORETICAL-STUDIES OF HYDROGEN-BONDING IN NEAT, LIQUID FORMAMIDE. Journal of Chemical Physics. 1995;102:5118-5125.
King BF, Farrar TC, Weinhold F. QUADRUPOLE COUPLING-CONSTANTS IN LINEAR (HCN)(N) CLUSTERS - THEORETICAL AND EXPERIMENTAL-EVIDENCE FOR COOPERATIVITY EFFECTS IN C-H-CENTER-DOT-CENTER-DOT-CENTER-DOT-N HYDROGEN-BONDING. Journal of Chemical Physics. 1995;103:348-352.
Ludwig R, Weinhold F, Farrar TC. TEMPERATURE-DEPENDENCE OF HYDROGEN-BONDING IN NEAT, LIQUID FORMAMIDE. Journal of Chemical Physics. 1995;103:3636-3642.
Stringfellow TC, Farrar TC. TEMPERATURE-DEPENDENCE OF THE N-14 QUADRUPOLE COUPLING-CONSTANT OF ISOCYANOMETHANE. Journal of Chemical Physics. 1995;102:9465-9473.
1994
Ludwig R, Zeidler MD, Farrar TC. MOLECULAR-DYNAMICS IN THE SYSTEM METHANOL DIMETHYLSULFOXIDE. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences. 1994;49:1131-1135.
Powell DR, Smith SK, Farrar TC, Ross FK. NEUTRON AND X-RAY-DIFFRACTION STUDY OF MAGNESIUM PHOSPHITE HEXAHYDRATE, MG(H2O)6 2+ PHO3 2. Acta Crystallographica Section C-Crystal Structure Communications. 1994;50:342-346.
Farrar TC, Jablonsky MJ, Schwartz JL. SOLUTION-STATE NMR MEASUREMENT OF THE CARBON AND PROTON CHEMICAL-SHIFT TENSORS, THE C-H BOND DISTANCE, AND THE MOLECULAR CORRELATION TIME IN PHENYLACETYLENE. Journal of Physical Chemistry. 1994;98:4780-4786.
Ludwig R, Farrar TC, Zeidler MD. TEMPERATURE-DEPENDENCE OF THE DEUTERON AND OXYGEN QUADRUPOLE COUPLING-CONSTANTS OF WATER IN THE SYSTEM WATER DIMETHYL-SULFOXIDE. Journal of Physical Chemistry. 1994;98:6684-6687.
1993
Stringfellow TC, Trudeau JD, Farrar TC. EXPERIMENTAL AND THEORETICAL-STUDIES OF THE P-H BOND LENGTH AND STRETCHING MODE OF THE PHOSPHITE ANION. Journal of Physical Chemistry. 1993;97:3985-3989.
Trudeau JD, Bohmann J, Farrar TC. PARAMETER-ESTIMATION FROM LONGITUDINAL RELAXATION STUDIES IN COUPLED 2-SPIN-1/2 SYSTEMS USING MONTE-CARLO SIMULATIONS. Journal of Magnetic Resonance Series A. 1993;105:151-166.
Farrar TC, Schwartz JL, Rodriguez S. PH, TEMPERATURE, AND CONCENTRATION-DEPENDENCE OF THE CHEMICAL-SHIFT AND SCALAR COUPLING-CONSTANTS IN NA2PHO3 AND NA2PFO3. Journal of Physical Chemistry. 1993;97:7201-7207.
1992
Farrar TC, Elling JW, Krahling MD. APPLICATION OF LINEAR PREDICTION TO FOURIER-TRANSFORM ION-CYCLOTRON RESONANCE SIGNALS FOR ACCURATE RELATIVE ION ABUNDANCE MEASUREMENTS. Analytical Chemistry. 1992;64:2770-2774.
1991
Trudeau JD, Schwartz JL, Farrar TC. ABINITIO CALCULATIONS AND EXPERIMENTAL-MEASUREMENT OF THE DEUTERIUM QUADRUPOLE COUPLING-CONSTANT IN NA2PDO3. Journal of Physical Chemistry. 1991;95:9788-9791.
Farrar TC, Jablonsky MJ. NMR RELAXATION STUDY OF NA2PFO3 IN SOLUTION - CHEMICAL-SHIFT ANISOTROPIES, BOND DISTANCES, J-COUPLING CONSTANTS, AND CORRELATION TIMES. Journal of Physical Chemistry. 1991;95:9159-9166.
Wachter EA, Farrar TC, Kontney MJ. A QUADRATURE DETECTION SCHEME FOR PULSED ION-CYCLOTRON RESONANCE MASS-SPECTROSCOPY. International Journal of Mass Spectrometry and Ion Processes. 1991;103:169-179.
1990
Farrar TC, Trudeau JD. ABINITIO CALCULATIONS OF CHEMICAL-SHIFT AND QUADRUPOLE COUPLING TENSORS IN PHO32. Journal of Physical Chemistry. 1990;94:6277-6282.
Loo JF, Krahling MD, Farrar TC. ACCURATE ION ABUNDANCE MEASUREMENTS IN ION-CYCLOTRON RESONANCE MASS-SPECTROMETRY BY LINEAR PREDICTION. Rapid Communications in Mass Spectrometry. 1990;4:297-299.
Wachter EA, Farrar TC, Kontney MJ. COHERENT EXCITATION DETECTION IN PULSED ICR-MS. International Journal of Mass Spectrometry and Ion Processes. 1990;98:79-86.
Farrar TC, Sidky E, Decatur JD. AN INEXPENSIVE PRECISE GAS-FLOW TEMPERATURE CONTROLLER. Journal of Magnetic Resonance. 1990;86:605-612.
Decatur JD, Farrar TC. NMR SPIN-LATTICE RELAXATION STUDIES OF METHYL ISOCYANIDE IN SOLUTION. Journal of Physical Chemistry. 1990;94:7391-7394.
Farrar TC, Decatur JD. TEMPERATURE-DEPENDENT NMR RELAXATION STUDIES OF NA2PHO3 IN SOLUTION. Journal of Physical Chemistry. 1990;94:7395-7401.
1989
Wachter EA, Sidky EY, Farrar TC. CALCULATION OF PHASE-CORRECTION CONSTANTS USING THE DISPA PHASE-ANGLE ESTIMATION TECHNIQUE. Journal of Magnetic Resonance. 1989;82:352-359.

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