ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Inorganic chemistry 20 (1981), S. 1950-1959 
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 2
    Electronic Resource
    Electronic Resource
    [s.l.] : Nature Publishing Group
    Nature 266 (1977), S. 336-337 
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] Table 1 Calculated results for (114)H4 Bond length Re 3.376 AU= 1.787 Å Total energy ET (Re) -49712.76 AU Force constant k2 0.57 AU Orbital energies e* 7p3/2 -0.25712 AU 7P1/2 -0.43640 7 S1/2 -0.80274 6d5/2 -0.80274 6d3/2 -0.93950 *At R = 3.4 AU Our approach here is as in ...
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 87 (1994), S. 313-320 
    ISSN: 1432-2234
    Keywords: Mercury atom polarisability ; Mercury dimer ; Relativistic effects ; Pseudopotential ; MPn ; QCISD ; QCISD(T)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The Hg atom electric polarisability at MP3, MP4, QCISD or QCISD(T) level using a 20 valence-electron pseudopotential and a (9s8p7d2f)/[7s6p4d2f] basis set converges and agrees with experiment. The calculated Hg2 X 1 ΣV (R) at the same level is roughly half of experiment atR e but twice as large as the experimentalC 6 at largeR.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 4
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 5 (1966), S. 1-4 
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Résumé On a mesuré la constante de couplage quadrupolaire dans le ND4Cl et le ND4Br. Les valeurs sont les suivantes: 179.9±2.0 et 180.0±2.0 kHz respectivement. A partir de la largeur de ligne du ND4Cl en fonction de la température pourH 0‖[100], on a déduit la valeur de 5.1 kcal/mol pour la barrière potentielle de la rotation empêchée des ions ND4 +. Pour les cristaux humides on a trouvé une ligne étroite, provenant vraisemblablement de l'existence d'une solution eutectique.
    Abstract: Zusammenfassung Die Deuteron-Quadrupol-Kopplungskonstanten in ND4Cl und ND4Br wurden gemessen. Sie betragen 179.9±2.0 resp. 180.0±2.0 kHz. Aus der Temperaturabhängigkeit der Linienbreite in ND4Cl fürH 0‖[100] wurde die Potentialbarriere für die gehinderte Rotation des ND4 +-Ions zu 5.1 kcal/mol bestimmt. In feuchten Kristallen wurde zusätzlich eine schmale Linie beobachtet, welche vermutlich von der Bildung einer eutektischen Lösung herrührt.
    Notes: Abstract The deuteron quadrupole coupling constants in ND4Cl and ND4Br have been measured. The results are 179.9±2.0 and 180.0±2.0 kHz, respectively. From the temperature dependence of the line width in ND4Cl for the d. c. magnetic field along [100] the hindered rotation potential barrier of the ND4 +-ion was found to be 5.1 kcal/mole. In crystals containing moisture a narrow line component was observed, which is probably due to the formation of an eutectic solution.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 5
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 4 (1965), S. 103-107 
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Résumé On a mesuré, de 300 à 115°K, la largeur de la ligne de résonance magnétique du deuton, relative à des polycristaux de ND4Cl, ND4Br et ND4I. Au-dessous de 200, 172 et 140°K pour ND4Cl, ND4Br et ND4I respectivement, la ligne s’élargit rapidement. De plus, la transition I ⇄ II de ND4I produit aussi une variation de largeur. Les largeurs de ligne observées sont en accord avec les valeurs calculées par les auteurs qui utilisent la deuxième formule des moments deVan Vleck sur une hypothèse de forme gaussienne de la ligne. Cette concordance se réalise lorsqu’on tient compte des interactions deuton-halogène dans les phases II et III de ND4Cl et la phase I de ND4I, alors qu’il faut négliger ces interactions dans les phases II et III de ND4Br et ND4I.
    Abstract: Zusammenfassung An den polykristallinen Substanzen ND4Cl, ND4Br und ND4I wurde die Linienbreite der magnetischen Deuteronen-Resonanz in einem Temperaturbereich von 115° bis 300°K gemessen. Die Linien verbreitern sich in ND4Cl, ND4Br und ND4I rasch unterhalb 200, 172 und 140°K. Ferner erzeugt der I ⇄ II Übergang von ND4I eine weitere Änderung der Linienbreite. Die beobachteten Breiten stimmen mit den durch die Autoren auf Grund der Van Vleckschen Momentenformel berechneten Werten überein, unter der Annahme einer Gaußschen Kurvenform. Diese Übereinstimmung gilt, wenn man die Deuteron-Halogen-Wechselwirkungen in den Phasen II und III von ND4Cl und in der Phase I von ND4I berücksichtigt, während die Wechselwirkungen in den Phasen II und III von ND4Br und ND4I vernachlässigt werden.
    Notes: Abstract The line width of the deuteron magnetic resonance in polycrystalline ND4Cl, ND4Br, and ND4I has been measured from 300°K down to 115°K. Below 200, 172, and 140°K in ND4Cl, ND4Br, and ND4I, respectively, the line rapidly broadens. In addition, the I ⇄ II transition of ND4I causes a change of line width. The observed line widths agree with those calculated by the present writers from theVan Vleck second moment formula assuming a Gaussian line shape. For this agreement, in the phases II and III of ND4Cl and in the phase I of ND4I the deuteron-halogen interactions should be taken into account, whereas in the phases II and III of ND4Br and ND4I they should be omitted.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 6
    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: Expressions are derived for the n-dependent, hydrogen-like relativistic corrections to the magnetic dipole and electric quadrupole radial hyperfine integrals of an arbitrary atomic state.Good agreement has been obtained earlier between these corrections and the relativistic Hartree-Fock results for s1/2 states. The agreement remains good for the p1/2 states. For the p3/2 states in heavier atoms the hydrogenic corrections still reproduce the Hartree-Fock trend. For the higher l values the agreement is poor. Numerical tables are given for 1 ≤ Z ≤ 100 for the s1/2, p1/2, and p3/2 magnetic dipole cases and the p3/2 quadrupole case.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 7
    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
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 8
    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: Relativistically parameterized extended-Hückel (REX) calculations concerning species and exchange reactions in the system I or I* + I2 are reported, where I = 2P3/2 and I* = 2P1/2. From their experimental data for related halogen systems X + YZ XY + Z, E. B. Gordon, A. I. Nadkhin, S. A. Sotnichenko, and I. A. Boriev [(Chem. Phys. Lett. 86, 209 (1982)] have proposed a conservation rule for the spin-orbit state (X* → Z*, X → Z). The results of REX calculations, double-group symmetry analysis, and schematic state correlation diagrams reported here are consistent with the proposed conservation rule. Two of the transition states are linear and the third nearly so, but no Γ1/2-Γ3/2 crossings leading to spin-orbit conversion are found.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 695-700 
    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: Relativistic symmetry orbitals are given for the double group D3h. For atomic orbitals at the symmetry center a general expression is presented. The atomic orbitals of the s, p½, and p3/2 variety outside the center are also considered. The representation matrices are given in explicit form.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 347-355 
    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: Relativistically parametrized extended-Hückel (REX) calculations are reported for MX4 (M = Ti, Zr, Hf, C, Si, Ge, Sn, Pb; X = Cl, Br, I) and for M(CH3)4 (M = Ti, C, Si, Ge, Sn, Pb). Satisfactory agreement is obtained with experiment and with earlier assignments both for the energy levels and for their relativistic splittings. This encourages the use of REX for assigning PES spectra. Double-ζ radial functions (REX and EHT) are given for Cl, Br, and I.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...