Library

X
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
    Molecular integrals with Slater basis. II. Fast computational algorithms (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4213-4222 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new algorithm for the calculation of molecular integrals involving STOs is reported. The algorithm enables us to obtain every two-center one-electron integral and the long-range many-center one- and two-electron integrals. The efficient implementation of the algorithm is discussed and its performance is thoroughly tested. The analysis on the stability of the relations employed in the calculation of multipolar moments is included. Futhermore, the computer time required to carry out each step (construction of basic matrices, calculation of multipolar moments, and calculation of two-electron integrals) has also been analyzed. The range of validity of this approach is shown in several molecular integrals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456800
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Molecular integrals with Slater basis. I. General approach (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4204-4212 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A method for the calculation of many-center integrals involving Slater-type orbitals (STOs) is reported. The method is based on the separation of the short- and long-range terms of the potentials generated by charge distributions. The calculation of three-center nuclear attraction integrals and many-center electron repulsion integrals, when the short-range contributions are negligible, is formulated in terms of multipolar moments of charge distributions. Recurrence relations for obtaining the multipolar moments, which enable us to reduce their calculations to the evaluation of some basic integrals, are reported.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456799
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Magnetic environment model of ferromagnetism in dilute PtCo alloys (1987)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 61 (1987), S. 3989-3990 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In this model, the local moments of the platinum atoms are proportional to the moments of their near neighbor atoms while the cobalt moments are not affected by their local magnetic environment. The moment of the cobalt atom polarizes directly only its nearest neighbors and then this effect is transmitted to the whole platinum matrix producing the magnetization cloud. The interaction between clouds is responsible for the onset of ferromagnetism at low temperatures. Taking only one cloud and the value of the experimental susceptibility we calculated the self-energy of the cloud, the nonenhanced susceptibility and the exchange constant between Pt and Co atoms, JPtCo. Also with the model, we calculated the critical temperatures of ferromagnetism in the concentration region 0.66≤c≤6.0 at. % Co by the Monte Carlo method. The results obtained were compared with experimental values of the critical temperatures showing a good agreement. We conclude that the onset of ferromagnetism in these dilute alloys is due to interactions between magnetization clouds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.338554
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Neutron scattering and magnetic susceptibilities of dilute PtCo alloys calculated by Monte Carlo methods (1988)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 63 (1988), S. 3617-3619 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Neutron scattering experimental data for dilute PtCo alloys show sharp forward peaks indicating the inhomogeneous distribution of magnetization in these alloys and the size and shape of magnetization clouds. These characteristics of the clouds, however, do not agree with those obtained by magnetization measurements. The disagreement suggests an important nonelastic contribution to such scattering. We, therefore, calculated the diffuse neutron cross sections for these alloys employing a magnetic environment model for the magnetization clouds, that has been used successfully for other giant moment dilute alloys such as PdFe and PtFe. The calculations were made by Monte Carlo methods for alloys of PtCo in the concentration region 1.0≤c≤6.0 at. %Co. The results show sharp peaks due to quasielastic scattering which reproduce well the experimental neutron data. We also calculated by the same methods the magnetic susceptibilities for alloys of PtCo with c〈1.0 at. %Co. The results show a good agreement with experimental data. The validity of the model and of the magnetic correlations used for the calculations is supported by their agreement with experimental results. At high concentrations the model should not apply as the clouds are considered independent in the calculations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.340713
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Recurrence relations for the expansion of Slater-type orbitals about displaced centers (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 5890-5894 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We show here that the coefficients for the expansion of any Slater-type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451551
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    A new peptidoglycan hydrolase in Streptococcus pneumoniae (1986)
    Oxford, UK : Blackwell Publishing Ltd
    FEMS microbiology letters 35 (1986), S. 0 
    Details
    ISSN: 1574-6968
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology
    Notes: Abstract The use of a mutant of Streptococcus pneumoniae deleted in the lytA gene coding for the N-acetyl-muramyl-l-alanine amidase, and therefore devoid of any amidase, has allowed the identification of a new murein hydrolase activity in this bacterium. This enzyme (or enzymes) acted as an autolysin when the cultures were grown at 30°C. Our results strongly suggest that the new lytic activity corresponds to one or more glycosidases.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1574-6968.1986.tb01520.x
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    Identification of a lytic enzyme of Clostridium acetobutylicum that degrades choline-containing pneumococcal cell walls (1988)
    Oxford, UK : Blackwell Publishing Ltd
    FEMS microbiology letters 52 (1988), S. 0 
    Details
    ISSN: 1574-6968
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology
    Notes: Abstract A protein that degrades pneumococcal walls containing choline, but not ethanolamine, in the teichoic acids has been isolated and purified from supernatants obtained from cultures of Clostridium acetobutylicum. The analyses of the degradation products of [3H]choline-labeled cell walls treated with this enzyme indicated that the purified protein, showing an apparent Mr of 115 000, is an N-acetylmuramyl-l-alanine amidase. Our results also suggest that C. acetobutylicum contains choline in its cell wall.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1574-6968.1988.tb02584.x
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    Explosion of white dwarfs (1987)
    Springer
    Astrophysics and space science 131 (1987), S. 413-417 
    Details
    ISSN: 1572-946X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We present models for Type I supernova light curves based on the explosion of partially solid white dwarfs in close binary systems. Studies of such explosions show that they leave bound remnants of different size. Our results reproduce quite well the maximun luminosities, the expansion velocities and the shape of the light curve. As the two basic parameters that govern the light curve, the ejected mass and the mass of56Ni produced, are variable our models reproduce the slow and fast subclasses of “classical” Type I supernovae.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00668119
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    Analysis of structural features responsible for the sweetness of the sesquiterpene, hernandulcin (1988)
    Springer
    Cellular and molecular life sciences 44 (1988), S. 447-449 
    Details
    ISSN: 1420-9071
    Keywords: Hernandulcin ; intense sweetener ; synthetic analogues ; taste attributes ; conformational analysis ; structure-activity relationships ; safety assessment
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The relationship between sweetness and structure was studied for several analogues of the intensely sweet sesquiterpene, hernandulcin. These derivatives were prepared synthetically, and were subjected to spectroscopic and conformational analysis. With the exception of the parent substance, none of the derivatives tested proved to be sweet. Evidence gathered in this study suggests that hernandulcin binds to its putative receptor through a three-point interaction, involving the C-1 carbonyl and C-1′ hydroxyl groups, and the double bond between C-4′ and C-5′. In the course of a preliminary safety assessment, the 3-desmethyl derivative of hernandulcin was found to be mutagenic towardSalmonella typhimurium strain TM677.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01940543
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    Precocious puberty and hypothalamic hamartoma. Report on a new case with ultrastructural data (1985)
    Springer
    Acta neurochirurgica 74 (1985), S. 129-133 
    Details
    ISSN: 0942-0940
    Keywords: Precocious puberty ; hypothalamic hamartoma ; glial hamartoma ; ganglioglioma
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A new case of hypothalamic hamartoma associated with precocious puberty is presented. After reviewing the literature, 23 other cases appeared. The ultrastructural study of the present case revealed common features with other hamartomatous lesions of the central nervous system and with the gangliogliomas. The data suggest that these lesions are morphologically organized in a very similar manner despite their very different growing potential.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01418802
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...