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  • Wiley-Blackwell  (16)
  • 2010-2014
  • 1995-1999  (5)
  • 1970-1974  (11)
  • 1960-1964
  • 1
    Electronic Resource
    Electronic Resource
    A study of dynamic quadrupolar and octupolar excitations and calculations on excited d and f states of atom and ions: He-sequence (1970)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 465-486 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The quadrupolar and octupolar distortion of the ions in the He-sequence caused by an external electro-magnetic field has been studied by a variation-perturbation method in the Hartree-Fock scheme. For certain frequencies singularities appear in the response of the system to the perturbation. Approximate representations for the excited d and f states have been obtained from a study of these resonances. Such a perturbation calculation has the advantage that representations of the different excited states are obtained independently. The orthogonality to all the lower lying levels of the same symmetry is not required. The only source of inaccuracy implicit in the procedure lies in the improper consideration of the inter-electronic interaction. This is corrected for by an independent calculation, which is again formulated in terms of a perturbation treatment. The resulting wave functions for the excited states are accurate in the Hartree-Fock model. Expectation values of several operators have been calculated with these corrected wave functions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560040503
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  • 2
    Electronic Resource
    Electronic Resource
    Coupled Hartree-Fock calculation of the electric dipole hyper-polarizabilities: He sequence (1972)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 6 (1972), S. 337-345 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The variation perturbation method in the coupled Hartree-Fock (HF) scheme has been used to calculate the fourth-order energies of He, Li+ and Be2+ ions subjected to a uniform external electric field. The hyper-polarizabilities γh which are related to the fourthorder energies have been calculated neglecting intra-atomic correlation. For He the observed value is γh = 53.6 ± 4.0 a.u. The present estimate in the coupled and uncoupled HF schemes yield 36.2 and 45.3 a.u. respectively. The other calculations using correlated ground state wave function gave values in the range 42-44 a.u. The discrepancies between our result and those of others have been discussed.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560060212
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  • 3
    Electronic Resource
    Electronic Resource
    Self-consistent calculation of excited 1P state wave functions of atoms (1970)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 139-147 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In an earlier paper (Bibliography [1]) it has been shown that approximate representations of excited states of atoms can be obtained from the study of the singularities in the dynamic polarizability. Starting with these wave functions a more accurate calculation of the excited states in the Hartree-Fock scheme can be made by a perturbation treatment. The resulting wave functions yield significantly improved energy values. The 21P, 31P and 41P states of the He sequence up to C4+ are studied. The expectation values of a number of operators are calculated. The results obtained by the present method compare favourably with other elaborate calculations.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560040203
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  • 4
    Electronic Resource
    Electronic Resource
    EXSENSEL - a rule-based approach to selection of sensors for process variables (1996)
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 443-447 
    Details
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A novel expert-system-based method for selection of sensors for process variables is presented. EXSENSEL (expert system based sensor selection) deals with 12 process variables and currently has 94 rules in its knowledge base. Despite its large knowledge base, users have to answer a set of only a few questions regarding a particular process variable, which is selected from a menu of 12 variables. A general description of the chosen process variable can be viewed before invoking the rules. Once a sensor has been selected, a brief write up on that particular sensor is also available on user's request. EXSENSEL is the successor to TRANSELEX, which is a single expert system for selection of transducers in the area of temperature, pressure, and flow measurement.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/ceat.270190510
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  • 5
    Electronic Resource
    Electronic Resource
    Quantum fluid density functional theory of time-dependent processes (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 69 (1998), S. 279-291 
    Details
    ISSN: 0020-7608
    Keywords: quantum fluid density functional theory ; quantum theory of motion ; time-dependent processes ; electronegativity ; hardness ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A quantum fluid density functional theory has been developed through an amalgamation of the quantum fluid dynamics and the time-dependent density functional theory. It is used in studying typical time-dependent processes like ion-atom collisions and atom-field interaction. Temporal evolution of chemical reactivity parameters as electronegativity, hardness, entropy, and polarizability is monitored for a He atom in its ground and excited states interacting with an external electric field and an incoming proton. It is observed that these reactivity parameters either remain static or oscillate with the external field in the atom-field interaction case, whereas during the collision process, hardness and entropy maximize and polarizability minimizes for both the electronic states of the atom. The possibility of a quantum theory of motion within the purview of this quantum fluid density functional framework is also explored.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 279-291, 1998
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    On the single-point determination of intrinsic viscosity (1971)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 15 (1971), S. 1599-1605 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: In the present paper we have analytically derived a single-point equation for determining the intrinsic viscosity of a polymer. It is observed that the proposed equation gives a much better agreement with the extrapolated value of [η] over a wide range of concentration for good as well as poor polymer-solvent systems.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1971.070150704
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  • 7
    Electronic Resource
    Electronic Resource
    ONSET OF ASYMMETRY: FLOW PAST CIRCULAR AND ELLIPTIC CYLINDERS (1996)
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 23 (1996), S. 1327-1345 
    Details
    ISSN: 0271-2091
    Keywords: unsteady flows ; incompressible viscous flows ; onset of asymmetry ; Navier-Stokes equations ; finite difference method ; bluff bodies ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: A computational study of the development of two- dimensional unsteady viscous incompressible flow around a circular cylinder and elliptic cylinders is undertaken at a Reynolds number of 10,000. A higher- order upwind scheme is used to solve the Navier-Stokes equations by the finite difference method in order to study the onset of computed asymmetry around bluff bodies. For the computed cases the ellipses develop asymmetry much earlier than the circular cylinder. The receptivity of the computed flows in the presence of discrete roughness and surface vibration is studied. Finally, the role of discrete roughness in triggering asymmetry for flow past a circular cylinder is studied and compared with flow visualization experiments at Re=10,000
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    STATIC AND DYNAMIC APPLICATIONS OF A FIVE NODED HORIZONTALLY CURVED BEAM ELEMENT WITH SHEAR DEFORMATION (1997)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 40 (1997), S. 1801-1819 
    Details
    ISSN: 0029-5981
    Keywords: higher order ; curved beam ; dynamic ; elastic base ; vibration ; Engineering ; Numerical Methods and Modeling
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A five-noded thirteen DOF horizontally curved beam element with or without an elastic base is presented. One set of fourth-degree Lagrangian polynomials in natural co-ordinates is used for interpolation of beam geometry and vertical displacement while the angles of transverse rotation and twist are interpolated by another set of third-degree polynomials. For elastic subgrade, the reactive forces offered at any point are assumed to be proportional to the corresponding displacements at that point. The effect of shear deformation is accounted for in the stiffness matrix. In mass matrix evaluation, for dynamic problems, translational as well as rotary intertias have been considered and studied separately. For numerical integration of the stiffness matrix, a four-point Gaussian scheme has been found to be adequate. Numerical results for a number of sample problems and their comparison with analytical solutions have been presented for circular as well as for non-circular curved beams. Displacements, bending moment and torque for static loading with or without elastic foundation, as well as natural frequencies and mode shapes are computed for different cases. Examples include the problem of a cantilever beam of spiral geometry with different parametric values of the spiral and the agreement with the analytical results establishes the efficacy of the element. The performance of the element has been found be be excellent in both static and dynamic conditions. Sufficient details are presented so that the formulation may be readily used. It is hoped that the large number of numerical illustrations will elucidate the validity and the range of applicability of the element and will also serve as benchmark for future researchers. © 1997 by John Wiley & Sons, Ltd.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Monohydroxytrifluoroborates and double fluoroborates (1970)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 379 (1970), S. 106-111 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Es wird die Darstellung von Hydroxotrifluoroboraten von Rb, Cs, (CH3)4N+, Nitron, Ni2+, Ni(py)42+ und Co(NH3)63+ beschrieben. Darüber hinaus wurden neuartige 1 : 1-Doppelsalze aus Tetrafluoro- und Hydroxotrifluoroborat erhalten. Von einigen dieser Salze werden Röntgenpulver- und IR-Daten mitgeteilt.
    Notes: The preparation of monohydroxotrifluoroborates of rubidium, cesium, tetramethylammonium, nitron, nickel, tetrapyridine nickel and hexammine cobalt(III) is described. Besides, a new series of double salts, comprising one mole tetrafluoroborate and one mole of monohydroxotrifluoroborate of the same cation, are described. The X-ray and IR-spectra of some of these salts are reported.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19703790118
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  • 10
    Electronic Resource
    Electronic Resource
    Oxofluorovanadates(V). III. Dioxotrifluorovanadates (1972)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 390 (1972), S. 61-63 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Die Darstellung der Dioxitrifluorovanadate, MI2 (VO2F3)(M = Na+, NH+4, 1/2Ni2+) und MII(HVO2F3)2· xH2O (M = Cu2+, Ni2+, Co2+) wird beschrieben. Leitfähigkeitsmessungen von K2VO2F3 in verschiedener Konzentration deuten auf eine Dissoziation 2K+-und VO2F2-3-Ionen.
    Notes: Preparation of the salts of the series dioxotrifluorovanadates, M2I (VO2F3), where M = Na+, NH+4, 1/2Ni2+ and MII(HVO2F3)2· xH2O where M = Cu2+, Ni2+ and Co2+ are described. Molecular conductivity measurement of potassium dioxotrifluorovanadate(V), K2VO2F3, at different dilutions indicates that it dissociates primarily into 2K+ and VO2F2-3 ions.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19723900108
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