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  • 1
    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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  • 2
    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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  • 3
    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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  • 4
    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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  • 5
    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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  • 6
    Electronic Resource
    Electronic Resource
    Complex Carbonates of Chromium(III) (1974)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 404 (1974), S. 81-86 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Komplex-Carbonate des Chrom(III)Durch Mischen von Cr(III)-Lösungen mit Lösungen von (NH4)2Co3 oder KHCO3 werden tieffarbige Lösungen und mit NaHCO3 ein Niederschlag erhalten. Das Spektrum von Cr(NO3)3 (violett) gelöst in 35proz. KHCO3-Lösung zeigt Absorptionsmaxima bei 430 und 580 nm, wogegen Cr(NO3)3 (violett) Absorptionsmaxima bei 410 und 575 nm hat. Die Lösung von Cr(III) in 20proz. KHCO3-Lösung wurde durch Ionenaustausch untersucht. Die Komplex-Carbonate des Chroms (Formeln siehe Abstract) wurden dargestellt und thermogravimetrisch untersucht sowie die IR-Spektren aufgenommen und Bandenzuordnungen vorgenommen.
    Notes: On adding chromium(III) solution to solutions of (NH4)2CO3 or KHCO3, deep coloured solutions are obtained, whereas, in the case of NaHCO3 a precipitate is obtained. The spectrum of chromium(III) nitrate (violet) dissolved in KHCO3 (35%) solution shows maximum absorbances at 430 and 580nm, whereas the spectrum for chromium(III) nitrate (violet) shows maximum absorbances at 410 and 575 nm. The chromium(III) solution dissolved KHCO3 (20%) is studied by ion exchange method. The complex carbonates of chromium (III), viz., (i) (NH4)2[Cr2(OH)4(CO3)2] · H2O, - (ii) K7[Cr4(OH)9(CO3)5] · 6 H2O, - (iii) Na3[Cr2(OH)5(CO3)2] · 4 H2O, - (iv) NH4[Co(NH3)6] [Cr3(OH)7(CO3)3] · 4 H2O, and (v) K6[Co(NH3)6]2[Cr2(OH)4(CO3)3]3 are isolated and studied by thermogravimetry. The infrared spectra of these compounds are recorded and probable band assignments made.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19744040107
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  • 7
    Electronic Resource
    Electronic Resource
    Oxofluorovanadates(V). I. Monooxopentafluorovanadates and monooxotetrafluorovanadates (1971)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 384 (1971), S. 251-254 
    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 über die Darstellung der Monooxopentafluorovanadate(V) MI2VOF5 von Kalium, Ammonium und Åthylendiamin sowie der Monooxotetrafluorovanadate(V) MIVOF4 von Natrium, Pyridin, α Picolin, Chinolin, Guanidin, Äthylendiamin, α,α′-Dipyridyl und o-Phenanthrolin berichtet. Die Tetrafluoroverbindungen des Natriums, Chinolins und α,α′-Dipyridyl wurden IE-spektroskopisch charakterisiert (700-4000 cm-1), und bei (py · H)VOF4, (Chinolin · H)VOP4 und (α,α′-Dipyridyl · H2) (VOF4)2 wurde thermogravimetrisch unreines V2O5 als Endprodukt der thermischen Zersetzung an Luft beobachtet.
    Notes: The preparation of potassium, ammonium and ethylenediamine monooxopentafluorovanadates and of pyridine, α-picoline, quinoline, guanidine, ethylenediamine, α,α′-dipyridyl, o-phenanthroline and sodium monooxotetrafluorovanadates are reported. Infrared spectra of NaVOF4 · 0.7 HaO, (quinoline · H)(VOF4) and (α-α′-dipyridyl · H2) (VOF4)2 have been recorded (700-4000 cm-1). Thermogravimetric study up to 450°C of (pyridine · H)(VOF4), (quinoline H)(VOF4) and (α,α′-dipyridyl · H2)(VOP4)2 show that in all cases impure V2O5 is the ultimate product on heating.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19713840309
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  • 8
    Electronic Resource
    Electronic Resource
    Oxofluorovanadates(V). II Dioxodifluorovanadates (1971)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 384 (1971), S. 255-259 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Ammonium-, Natrium-, Hexamminkobalt (III) und Åthylendiaminium-dioxofluorovanadat(V), MIVO2F2. wurden dargestellt und durch Röntgenpulveraufnahmen, IR-Spektrum und im Falle des NH4-Salzes-Thermogravimetrie charakterisiert.
    Notes: The syntheses of ammonium, sodium, hexamminecobalt(III) and ethylene-diamine dioxodifluorovanadate(V), MIVO2F2, are reported. Their x-ray powder diffraction data are different from those of the corresponding tetrafluoroborates and perchlorates. Their infrared spectra have been recorded (700-4000 cm-1), and probable band assignments made. The ammonium dioxodifluorovanadate has been studied through thermogravimetry, and the composition of an intermediate product is discussed from its chemical analysis and infrared spectrum.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19713840310
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  • 9
    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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  • 10
    Electronic Resource
    Electronic Resource
    Oxofluorovanadates(V). IV. Dioxotetrafluorovanadates (1972)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 390 (1972), S. 311-315 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Es werden die Darstellung und die Eigenschaften der Salze M3IVO2F4 (M = NH4+, Na+, K+, 1/2 Ni2+ 1/3 [Co(NH3)6]3+) beschrieben. Aus Leitfähigkeitsmessungen von Na3VO2F4 in verschiedener Konzentration wird auf eine Dissoziation in 3 Na+- und VO2F43--Ionen geschlossen. Der Ionenaustausch von (NH4)3VO2F4-Lösung am Kationenaustauscher (H+-Form) zeigt, daß die entsprechende Säure zum Teil zu V2O5 zerfällt. (NH4)3VO2F4, reagiert mit BaCl2- und AgNO3- Lösungen unter Bildung von BaVO2F3 bzw. AgVO3. Röntgen-Untersuchungen sind an (NH4) VO2F4- und Na3VO2F4-Pulvern durchgeführt worden.
    Notes: Preparation and properties of the salts of the series MI3VO2F4, where M = NH4+, Na+, K+, 1/2 Ni2+, and 1/3 [Co(NH3)6]3+ are described. Molecular conductivity of Na3VO2F4 at different dilutions indicates that Na3VO2F4 dissociates into 3 Na+ and VOaF43- ions. Ion exchange study of (NH4)3VO2F4 solution through cation exchange resin (H+ form) suggests that the corresponding acid decomposes partly to vanadium pentoxide. Reaction between (NH4)3VO2F4 with BaCl2 and AgNO3 solutions shows the formation of BaVO2F3 and AgVO3 respectively. Thermogravimetric study of (NH4)3VO2F4 shows the formation of impure vanadium pentoxide as the ultimate product on heating up to 450°C. X-ray powder diffraction data are given for (NH4)3VO2F4 and Na3VO2F4.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19723900311
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