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  • Chemistry  (14)
  • Aerospace Medicine  (4)
  • Atlantic Ocean; Description; Discoverer (1966); Dredge, chain bag; Dredge, pipe; DRG_C; DRG_P; Event label; Mass; NOAA and MMS Marine Minerals Geochemical Database; NOAA-MMS; T3-72D 253-13; T3-72D 255-19; T4-73-2A3; TAG1972; TAG1972-13; TAG1972-19; TAG1972-20; TAG1972-22; TAG1972-23; TAG1973; TAG1973-2A; TAG1973-3A; TAG1975; TAG1975-1A; TO-75AK61-1A (AK #1671); Trans-Atlantic Geotraverse 1972; Trans-Atlantic Geotraverse 1973; Trans-Atlantic Geotraverse 1975
  • 2010-2014  (3)
  • 2005-2009  (1)
  • 1995-1999  (11)
  • 1975-1979  (3)
  • 1960-1964  (1)
Collection
Keywords
Publisher
Years
Year
  • 1
    facet.materialart.
    Unknown
    (Table 2, Annex), Manganese crusts and manganese coated rocks recovered from study area (lat 26°N) (1976)
    PANGAEA
    In:  Supplement to: Rona, Peter A; Harbison, Reginald N; Bassinger, Bobby G; Scott, Robert B; Nalwalk, Andrew J (1976): Tectonic fabric and hydrothermal activity of Mid-Atlantic Ridge crest (lat 26°N). Geological Society of America Bulletin, 87, 661-674, https://doi.org/10.1130/0016-7606(1976)87%3C661:TFAHAO%3E2.0.CO;2
    Details
    Publication Date: 2023-12-14
    Description: An asymmetric tectonic fabric was delineated by narrow-beam bathymetric profiles in a 180-km2 area of the Mid-Atlantic Ridge crest at lat 26°N. Features of the tectonic fabric are a continuous rift valley offset by small (〈10-km) transform faults and minor fracture zones expressed as valleys with intervening ridges that trend normal and oblique to the two sides of the rift valley. The discharge zone of a postulated sub-sea-floor hydrothermal convection system is focused by faults on the southeast wall of the rift valley and driven by intrusive heat sources beneath the rift valley. The rift valley has a double structure consisting of linear segments, bounded by ridges, and basins at the intersections of the minor fracture zones. The double structure of the rift valley acts like a template that programs the reproduction of the tectonic fabric. The minor fracture zones form an asymmetric V about the rift valley at variance with the symmetric small circles formed by major fracture zones. To reconcile the asymmetry of minor fracture zones with the symmetry of major fracture zones, it is proposed that the minor fracture zones have been preferentially reoriented by an external stress field attributed to interplate and intraplate motions. Major fracture zones remain symmetric under the same stress field owing to differential stability between minor and major structures of oceanic lithosphere.
    Keywords: Atlantic Ocean; Description; Discoverer (1966); Dredge, chain bag; Dredge, pipe; DRG_C; DRG_P; Event label; Mass; NOAA and MMS Marine Minerals Geochemical Database; NOAA-MMS; T3-72D 253-13; T3-72D 255-19; T4-73-2A3; TAG1972; TAG1972-13; TAG1972-19; TAG1972-20; TAG1972-22; TAG1972-23; TAG1973; TAG1973-2A; TAG1973-3A; TAG1975; TAG1975-1A; TO-75AK61-1A (AK #1671); Trans-Atlantic Geotraverse 1972; Trans-Atlantic Geotraverse 1973; Trans-Atlantic Geotraverse 1975
    Type: Dataset
    Format: text/tab-separated-values, 16 data points
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    DATA PANGAEA
  • 2
    Electronic Resource
    Electronic Resource
    Di-μ-hydrido-bis[1,3-propanbis(dicyclohexylphosphin)]dinickel(Ni—Ni)  -  Der Bindungszustand in einem Dreizentren-Wasserstoff-überbrückten Ni—Ni-System (1977)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 110 (1977), S. 3900-3909 
    Details
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Di-p-hydrido-bis[1,3-propanbis(dicyclohexylphosphin)]dinickel(Ni—Ni) - Der Bindungszustand in einem Dreizentren-Wasserstoff-überbrückten Ni—Ni-SystemDie Kristallstruktur der Titelverbindung [(C6H11)2PCH2CH2CH2P(C6H11)2NiH]2 (1) wurde aus 4051 Reflexen abgeleitet und zu einem R-Wert von 0.044 verfeinert. Lageparameter aller Wasserstoffatome konnten einer Differenz-Fourier-Synthese entnommen werden. Die Struktur der diamagnetischen Verbindung setzt sich aus zwei P2Ni-Untereinheiten zusammen, welche zweifach mit Wasserstoffatomen (Ni—H 1.6 Å) überbrückt sind. Hierdurch ergibt sich ein bindender Ni—Ni-Abstand von 2.441(1) Å. Im Kristallgitter bilden die Ebenen durch die P2Ni-Untereinheiten einen Interplanarwinkel von 63.3°. Theoretische Betrachtungen sagen für das freie Molekül eine quadratisch planare Anordnung voraus, doch ergibt sich für die Drehbewegung zur beobachteten Geometrie nur eine flache Potentialenergiefläche. Die gefundene Verdrillung resultiert aus starken intramolekularen Abstoßungskräften zwischen den Cyclohexylgruppen der zwei P2Ni-Einheiten.
    Notes: The crystal structure of the title compound, [(C6H11)2PCH2CH2CH2P(C6H11)2NiH]2 (1), has been determined from 4051 reflections and refined to a final R-value of 0.044. The positions of the hydrogen atoms (bridging and non-bridging) have been determined from a difference Fourier synthesis. The molecular structure of the diamagnetic compound consists of subunits doubly-bridged by hydrogen atoms. The Ni—Ni and average Ni—H distances are 2.441 and 1.6 Å, respectively. In the solid state the two planes of the P2Ni units form a dihedral angle of 63.3°. Theoretical considerations predict a square-planar structure for the idealized molecule with a soft potential energy surface for a twisting motion towards the observed geometry. The observed twist is the result of severe intramolecular repulsions between the cyclohexyl groups of the two P2Ni units.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19771101221
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal Structures of Oxalato and Oxamido Polyaminecobalt(III) Complexes Produced by Hydrolysis of Monooxamide (1999)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 723-728 
    Details
    ISSN: 1434-1948
    Keywords: Monooxamide ; Amide hydrolysis ; Cobalt(III) ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reactions of sodium monooxamide (H2NCOCO2Na) with trans-[Co(en)2Cl2]Cl, trans-[Co(3,2,3-tet)Cl2]Cl (3,2,3-tet = 1,5,8,12-tetraazadodecane), cis-α-[Co(trien)Cl2]Cl and [Co(tren)Cl2]Cl result in the formation of [Co(en)2(ox)]Cl · 4H2O (1), cis-β-[Co(3,2,3-tet)(ox)]Cl· 4 H2O (2), cis-α-[Co(trien)(ox)]Cl · 2 H2O (3), and [Co(tren)(ox)](ClO4) · 0.5 H2O (4) respectively, implying a hydrolytic cleavage of the amide bond. [Co(tren)(O,O′-oxam)]Cl2 · 2 H2O (5) (oxam = H2NCOCO2-) and p-[Co(tren)(NH3)(O-oxam)]Cl2 (6) have also been prepared in order to give mechanistic information for the hydrolysis of monooxamide. Crystal structures of the products are reported and possible pathways for the hydrolysis reactions are discussed.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    The origins of avoided crossings in polymer dispersion curvesThis work was supported by the Division of Materials Sciences, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC05-84OR21400 with Martin Marietta Energy Systems, Inc. (1995)
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 4 (1995), S. 709-723 
    Details
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: A purely mathematical heuristic model is examined in order to explain the existence of an avoided crossing between two dispersion curves calculated for a certain potential energy surface designed to simulate the dynamics of a linear polyethylene chain. The model shows that a third mode coupled to a two-mode Fermi-resonant system is able to create a marked instability in a vibrational spectrum. It is noted that such an explanation would require a fourth-order coupling term, which is the reason given for the failure of normal mode analysis to properly identify this dynamical effect.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mats.1995.040040408
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  • 5
    Electronic Resource
    Electronic Resource
    On the correspondence between classical and quantum mechanics in macromolecular systems: Too much classical chaosResearch sponsored by the Division of Materials Sciences, Office of Basic Energy Sciences, U.S. Department of Energy under contract DE-AC05-96OR22464 with Lockheed-Martin Energy Research Corp. (1998)
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 7 (1998), S. 203-209 
    Details
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: In a recent study we found the classical dynamics of a polyethylene (PE) chain to exhibit low dimensional chaos at temperatures as low as a few Kelvin. These results strongly suggest that classical molecular dynamic simulations in polymer systems can grossly overestimate vibrational motion, which consequently results in disordered structures. In contrast, quantum mechanical calculations using Internal Coordinate Quantum Monte Carlo (an improved method with an initial conjecture for the correct wave function) indicate that the quantum ground state for a three-dimensional model PE chain is far more rigid than determined from molecular dynamics (MD) simulations, even at energies as low as a small fraction of the ground state energy. This result casts uncertainty on the reliability of MD estimates of dynamical or structural quantities relevant to the study of some macromolecular systems.
    Additional Material: 3 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    On the determination and ramifications of chaos in many-body systems: A model study of polyethylene (1997)
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 6 (1997), S. 577-590 
    Details
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Computational methods for elucidating information related to the dynamical behavior of multidimensional systems are presented and applied in the area of macromolecular dynamics. Results indicate that the dimensionality of chaotic dynamics for a model of polyethylene can only be characterized for a very narrow range of extremely low temperature (0-2 K). These results provide evidence that suggests the dynamics of this system are completely chaotic at temperatures as low as 10 K. The preponderance of increasing density of low frequency floppy vibrational modes in large molecular systems provides a facile mechanism for the onset of global chaos. Ramifications of such global chaos to the accurate modeling and simulation of macromolecular dynamics is discussed.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mats.1997.040060217
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  • 7
    Electronic Resource
    Electronic Resource
    Molecular dynamics treatment of torsional interactions accompanied by dissociationResearch sponsored by the Division of Chemical Sciences, Office of Basic Energy Science, U.S. Department of Energy under contract DE-AC05-84OR21400 with Martin Marietta Energy Systems Inc. (1995)
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 4 (1995), S. 909-920 
    Details
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: When three atoms in a bend sequence move into a linear configuration, any torsional angle involving those three atoms becomes undefined and its Cartesian derivatives singular. In molecular dynamics simulations, this is most likely to occur during and after a bond-breaking process, leading to spuriously large torsional forces and energies which invalidate the simulation. By including appropriate bend angle switching functions in torsional interaction terms, one may approach the linear bend limit in a well-defined manner and make torsional forces vanish around this limit, as expected on physical grounds. Although this expense can be greatly reduced by observing that any internal force must not move the center of mass of the particles involved. Several approximations explored in this paper can reduce this effort even further.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mats.1995.040040504
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  • 8
    Electronic Resource
    Electronic Resource
    Efficient computation of potential energy first and second derivatives for molecular dynamics, normal coordinate analysis, and molecular mechanics calculationsResearch sponsored by the Division of Materials Sciences, Office of Basic Energy Sciences, U.S. Department of Energy under contract DE-AC05-84OR21400 with Lockheed-Martin Energy Systems Inc. (1996)
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 5 (1996), S. 771-788 
    Details
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: By using two- and three-body internal coordinates and their derivatives as intermediates, it is possible to enormously simplify formulas for three- and four-body internal coordinates and their derivatives. Using this approach, simple formulas are presented for stretch (two-body), two types of bend (three-body), and wag and two types of torsion (four-body) internal coordinates and their first and second derivatives. The formulas are eminently suitable for economizing molecular dynamics and molecular mechanics calculations and normal coordinate analysis of complicated potential energy surfaces. Efficient methods for computing derivatives of entire potential energy terms, and in particular cross terms with switching functions, are presented.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mats.1996.040050410
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  • 9
    Electronic Resource
    Electronic Resource
    Quantum-Monte-Carlo simulations on linear chains (1996)
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 5 (1996), S. 365-380 
    Details
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The diffusion Quantum-Monte-Carlo method is applied to a set of coupled oscillators as a first approach to a polyethylene chain. The obtained energy eigenvalues are in good agreement with normal mode analysis. For chains shorter than 50 atoms a distinction between center oscillators and end oscillators is possible. For longer chains non-negligible deviations are discussed.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mats.1996.040050301
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  • 10
    Electronic Resource
    Electronic Resource
    Recent advances in polymer molecular dynamics simulation and data analysisResearch sponsored by the Division of Materials Sciences, Office of Basic Energy Sciences, U.S. Department of Energy under contract DE-AC05-96OR22464 with Lockheed-Martin Energy Research Corp. (1997)
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 6 (1997), S. 855-880 
    Details
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Significant advances in molecular simulation methodology over the past decade have greatly reduced the traditional size-timescale bottleneck in molecular dynamics calculations. The development of the geometric statement function method allows for systems up to several hundred thousand atoms to be simulated for up to several nanoseconds in reasonable times on standard workstations. For constant energy simulations, the use of symplectic integrators ensures accurate dynamics, even at long simulation times, without velocity or other artificial rescaling schemes. Finally, new methods of frequency estimation allow for accurate vibrational mode frequency calculations even in the presence of chaotic motion on time scales twenty times shorter than the standard fast Fourier transform, with an additional improvement in the sensitivity of the results when initial dynamics conditions are carefully chosen.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mats.1997.040060501
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