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Creator | Title | Description | Subject | Date |
51 |
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Miller, Joel Steven | Isolation and structural determination of {(1,1,2,2-tetracyano-1,2-ethanediyl)bis[imino(cyanomethylene)]}bis-(cyanamide) ion(2--), [C12N12]2--, a new cyanocarbon | The oxidative degradation of [N(PPh3)2]3[Mnilll(CN)6] leads to the isolation of the unprecedented [C12N12]2- dianion, which is characterized by single-crystal X-ray diffraction and spectroscopic techniques. | Cyanogen; Bond; Absorptions | 1995 |
52 |
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Poulter, Charles Dale | Isoprenyl diphosphate synthases: protein sequence comparisons, a phylogenetic tree, and predictions of secondary structure | Isoprenyl diphosphate synthases are ubiquitous enzymes that catalyze the basic chain-elongation reaction in the isoprene biosynthetic pathway. Pairwise sequence comparisons were made for 6 farnesyl diphosphate synthases, 6 geranylgeranyl diphosphate synthases, and a hexaprenyl diphosphate synthase... | Catalytic site; Evolution; Farnesyl diphosphate; Geranylgeranyl diphosphate; Prenyltransferase; Substrate binding: | 1994 |
53 |
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Miller, Joel Steven; Epstein, Arthur J. | Ferrimagnetic resonance in films of vanadium [tetracyanoethanide]x, grown by chemical vapor deposition | Ferrimagnetic resonance (FMR) measurements in thin films of V[TCNE]x grown by chemical vapor deposition exhibit a series of sharp lines at 300 K. The orientational dependence of these lines is a result of the sample geometry provided the magnetization tracks the applied magnetic field. The FMR inten... | Spin; Anisotropy; Magnetization | 2004 |
54 |
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Miller, Joel Steven; Epstein, Arthur J. | Spin dilution in a ferromagnetic chain | We have systematically introduced spinless defects in the quasi-one-dimensional ferromagnetic system decamethylferrocenium tetracyanoethanide, [FeCp(2*)] [TCNE]. The three-dimensional ordering temperature Tc decreases rapidly with the concentration of spinless sites. The rate of decrease of Tc with... | Magnetic; Magnetization; Spinless | 1992 |
55 |
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Morse, Michael David | Rotationally resolved spectra of Pt? | High-resolution laser-induced fluorescence spectroscopy has been used to investigate the 18 163 cm21 band of Pt2 in a supersonically cooled molecular beam. Rotational constants of the ground and excited states were extracted from the rotationally resolved spectrum and determined to be B0'=0.031 754(... | | 2002 |
56 |
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Armentrout, Peter B. | Effect of kinetic and electronic energy on the reactions of Mn+ with H2, HD and D2 | Reactions of several electronic states of Mn+ with H2, HD, and D2 have been examined using guided ion beam mass spectroscopy. The excitation function for the ground state of Mn+ ( 75) has two regions: one of very low reactivity at threshold and another more efficient pathway at higher energies. In ... | Ion-molecule reactions; Translational energy; Bond energy; Threshold behavior; Endothermic reactions; Metal ions; Manganese; Hydrogen | 1986 |
57 |
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Morse, Michael David | Resonant two-photon ionization spectroscopy of jet-cooled NiPt | Resonant two-photon ionization spectroscopy of jet-cooled NiPt has been used to investigate the possibility of <f-electron contributions to the bonding in this species. Based on an abrupt onset of predissociation, the bond strength of NiPt is assigned as D0 (NiPt) = 2.798 ? 0.003 eV. Comparisons of ... | | 1989 |
58 |
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Miller, Joel Steven | Potential technology directions of molecular metals | In the past decade, anisotropic molecular conductors have been found which possess unusual electrical, optical, magnetic, and in some cases mechanical properties. Exploiting these properties for specific devices is inevitable, and a number of diverse applications of molecular metals have been repor... | Molecular metals | 1979 |
59 |
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Armentrout, Peter B. | Probes of spin conservation in heavy metal reactions: experimental and theoretical studies of the reactions of Re+ with H2, D2, and HD | A guided ion beam tandem mass spectrometer is used to examine the kinetic energy dependence of reactions of the third-row transition metal cation, Re1, with molecular hydrogen and its isotopologues. A flow tube ion source produces Re1 in its 7S3 electronic ground state. | Endothermic reactions; Transition metal ions; Rhenium ions; Dihydrogen | 2004 |
60 |
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Armentrout, Peter B. | Thermodynamics of ammonia activation by iron cluster cations: guided ion beam studies of the reactions of Fen+ (n=2-10,14) with ND3 | The kinetic energy dependences of the reactions of Fen 1 (n52 - 10,14) with ND3 are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-10 eV. Dehydrogenation of ammonia to form FenND1 is found to be efficient and exothermic for n54 in agreement with previous FT-ICR stu... | | 2003 |
61 |
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Miller, Joel Steven; Epstein, Arthur J. | Elastic properties of (N(CH3)3H) (I) (TCNQ) | We present the results of a study of the temperature dependence of the Young's modulus and internal friction of (N(CH3 )3H)(I)(TCNQ). The Young's modulus was measured in a direction parallel to the TCNQ (tetracyanoquinodimethane) stacking axis using a vibrating reed technique. The results confirmed ... | Metal-like, Conductivity, Magnetic | 1979 |
62 |
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Miller, Joel Steven; Epstein, Arthur J. | Three-dimensional ordering, spin excitations, and dilution effects in the quasi-1-D ferromagnetic (DMeFc)(TCNE) | The linear chain S = (1/2) molecular ferromagnet decamethylferrocenium tetracyanoethanide [(DMeFc) (TCNE)] has been studied by frequency-dependent ac susceptibility experiments. (X')(T) and (X") (T) exhibit maxima in the temperature range of 4.8 - 4.9 K, which corresponds to the transition tempe... | Temperature; Transition; Magnetic | 1991 |
63 |
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Miller, Joel Steven; Epstein, Arthur J. | Photoinduced magnetization in the organic-based magnet Mn(TCNE)x.y(CH2Cl2) | Photoinduced magnetization in a magnet based on organic species is reported for the first time. Upon optical excitation in the blue region of spectrum, Mn (tetracyanoethylene)x .y(CH2Cl2) (x=2,y-0.8) exhibits increased magnetic susceptibility at temperatures as high as 75 K, accompanied with photo-i... | Absorption; Magnetic; Infrared | 2002 |
64 |
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Armentrout, Peter B. | Collision-induced dissociation dynamics of the [OCS • C2H2]+ complex. A combined experimental and theoretical study | Collision-induced dissociation (CID) of the [OCS • C2H2]+ complex ion with both Xe and Ar over an energy range of 0 to 10 eV in the center of mass frame is studied using a guided ion beam tandem mass spectrometer. The cross sections of the ionic products observed (C,H2S+, OCS+, C2HJ, and S+) are ... | Collision-induced dissociation; Competitive shift; Ethylene Sulfide cation; Kinetic shift; Thioketene cation; Potential energy surface | 2000 |
65 |
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Morse, Michael David | Optical spectroscopy of jet-cooled NiSi | The electronic states of gaseous diatomic NiSi have been investigated using the combined techniques of resonant two-photon ionization spectroscopy, dispersed fluorescence spectroscopy, and density functional computations. A single electronic band system, designated as the [8.0]1?X 1?+ system, has be... | | 2003 |
66 |
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Armentrout, Peter B. | Translational energy dependence of O+(4S) + N2 → NO+ + N from thermal energies to 30 eV c.m. | Guided ion beam mass spectrometry is used to examine the kinetic energy dependence of the reaction of ground state atomic oxygen ion with molecular nitrogen. An 0 + (4S) source which produces less than 0.06% excited states is described. Cross sections for the NO+ + N product channel decrease with... | Ion-molecule reactions; Translational energy; Threshold behavior; Endothermic reactions; Nitrogen; Oxygen | 1987 |
67 |
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Miller, Joel Steven | Characterization of novel TCNQ and TCNE 1 : 1 and 1 : 2 salts of the tetrakis(dimethyamino) ethylene dication, [{(CH3)2N}2C-C{N(CH3)2}2]2+ | Addition of TCNQ to a solution of tetrakis(dimethylamino)ethylene in MeCN produces the salt [TDAE][TCNQ]2; the dipositive cation, [{(CH3)2N}2C-C{N(CH3)2}2]2+, is nonplanar, with a dihedral angle of 63.9(o), while the TCNQ anions crystallize as [TCNQ]2 2- dimers with an interplanar separation of 3.1... | Electron; Oxidations; Transfer | 1996 |
68 |
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Miller, Joel Steven; Epstein, Arthur J. | Molecule-based magnets - an overview | Molecule-based* magnets are a broad, emerging class of magnetic materials that expand the materials properties typically associated with magnets to include low density, transparency, electrical insulation, and low-temperature fabrication, as well as combine magnetic ordering with other proper... | Spin; Magnetization; Magnetic ordering | 2000 |
69 |
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Miller, Joel Steven; Epstein, Arthur J. | Anomalous relaxation in a quasi-one-dimensional fractal cluster glass | The low-temperature spin glass state of the quasi-1D organic-based magnet [MnTPP]+[TCNE]- .x(1,3-C6H4Cl2) has unusually long relaxation times due to frustration induced by dipole-dipole interactions between fractal spin clusters. This long relaxation is investigated with in-field relaxation measurem... | Sweep rate; Bifurcation; Magnetization | 2004 |
70 |
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Miller, Joel Steven | Formation of a zwitterionic donor-acceptor compound based on N,N,N',N'-tetramethly-p-phenylenediamine and 7,7,8,8-tetracyanoperfluoro-p-quinodimethane | The reaction of the donor N,N,N',N'- tetramethyl-p-phenylenediamine (TMPD) with the acceptor 7,7,8,8-tetracyanoperfluoro-p-quinodimethane (TCNQF4) has led to the isolation of a novel type of zwitterionic donor-acceptor compound whose structure has been determined by X-ray crystallography. | Ccrystals; Single bond | 1988 |
71 |
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Voth, Gregory Alan | Multiscale coarse-graining of the protein energy landscape | A variety of coarse-grained (CG) models exists for simulation of proteins. An outstanding problem is the construction of a CG model with physically accurate conformational energetics rivaling all-atom force fields. In the present work, atomistic simulations of peptide folding and aggregation equilib... | | 2010-06-24 |
72 |
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Miller, Joel Steven | Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)* | The redox reaction between N,N'-dicyanoquinone diimines (DCNQIs) and porphyrinatomanganese(II) produced electron transfer salts (ETSs), [MnIIITMesP]+[DMeO-DCNQI]-. 1 (MnIIITMesP=meso-tetrakis(2,4,6- trimethylphenyl)porphyrinatomanganese(III), DMeO-DCNQI=2,5-dimethoxy-N,N'-dicyanoquinone diimine) an... | Transitions; Interactions; Magnetic | 2001 |
73 |
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Miller, Joel Steven | Far-infrared powder spectrum of (N(CH3)3D)(I)(TCNQ) | We present the powder absorption spectrum of (TMA)(I)(TCNQ) in the far-infrared as a function of temperature. Below 160 K new absorption features appear and others increase in intensity. This behaviour supports the electron- neutron-diffraction evidence of a distortion on the TCNQ chains below the f... | Conductivity, Crystals, Electrons | 1983 |
74 |
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Morse, Michael David | Spectroscopy of AlAr and AlKr from 31 000 cm-1 to the ionization limit | Spectra of jet-cooled AlAr and AlKr have been collected over the range from 31 000 cm -? to the ionization limit, using the technique of resonant two-photon ionization spectroscopy with mass spectrometric detection. Adiabatic ionization potentials have been accurately measured for both molecules, an... | | 1992 |
75 |
|
Morse, Michael David | Resonant two-photon ionization spectroscopy of LiCu | Jet-cooled LiCu has been investigated using resonant two-photon ionization spectroscopy. A long vibrational progression was observed and identified as the [20.5] 1?+? X 1?+ band system. Ten bands of the system were rotationally resolved for 7Li63Cu, giving bond lengths of r0=2.2618(3) ? for the X 1?... | | 1997 |