ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

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
Filter
  • 1970-1974  (4)
  • 1
    Electronic Resource
    Electronic Resource
    Multi-conformational compounds with two absorbing groups (1971)
    Springer
    Theoretical chemistry accounts 22 (1971), S. 271-282 
    Details
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Résumé On propose deux méthodes pour étudier les molécules contenant une composante cyclopropanique. La première, qui tient compte de tous les électrons de valence, est une CNDO/2 itérative qui fournit — par l'intermédiaire des indices carrés de liaison — des valeurs auto-cohérentes pour l'hybridation et les angles de valence. L'autre, compatible avec les techniques π-électroniques, a pour but l'étude de la conjugaison et de la transmission de conjugaison. Les méthodes sont illustrées par application au cyclopropane non-substitué.
    Abstract: Zusammenfassung Es werden zwei Methoden zur Behandlung von Molekülen, die einen Dreiring enthalten, vorgeschlagen. Die eine besteht in der iterativen Anwendung des CNDO/2-Verfahrens mit selbst-konsistenten Hybridisierungen und Valenzwinkeln. Die zweite entspricht etwa einem π-Elektronenverfahren und dient besonders dem Studium von Konjugationseffekten. Illustriert werden beide am Beispiel des einfachen Cyclopropan.
    Notes: Abstract Two methods are proposed for dealing with a three-membered ring which is incorporated into a large molecule. The first, an all-valence electron approach, is an iterative CNDO/2 which provides, through bond indices, self-consistent hybridizations and valency angles. The second is compatible with π-electron approaches and aims at the study of conjugation and transmission of conjugation. The methods are illustrated by application to the unsubstituted cyclopropane molecule.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00530272
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Linear combination of hybrid orbitals: Cyclobutane as test-case (1974)
    Springer
    Theoretical chemistry accounts 33 (1974), S. 215-226 
    Details
    ISSN: 1432-2234
    Keywords: Cyclobutane, hybridization in ∼ ; Hybrids, linear combination of ∼ ; Saturated organic compounds,. MO treatment of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Hybrid-based molecular orbitals are constructed for puckered cyclobutane, and used subsequently in a configurational-interaction process. The bent-bond structure, diagonal interaction and excited states of the molecule are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00551256
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Multi-conformational compounds with two absorbing groups (1971)
    Springer
    Theoretical chemistry accounts 20 (1971), S. 352-363 
    Details
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die Reihe von Rotationsisomeren, die sich von α-Diketonen ableitet, wurde mittels des molecules-in-molecule Verfahrens untersucht, wobei zweifach angeregte Konfigurationen einbezogen wurden. Es interessierte besonders die Korrelation zwischen Eigenschaften des Grundzustandes und der Änderung der Spektren mit der Konformation.
    Abstract: Résumé On étudie les isomères rotationnels du système α-dionique par une méthode du type «molécules dans les molécules». Des configurations à excitation double sont incluses. Les calculs permettent d'établir des corrélations concernant l'état fondamental et la dépendence des spectres sur la conformation.
    Notes: Abstract The series of rotational isomers, derivable from α-diketones, has been studied by a “molecules-in-molecules” technique, including several diexcited configurations. Correlations concerning ground state properties and the dependence of spectral features upon conformation, are presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00527190
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Multi-conformational compounds with two absorbing groups (1970)
    Springer
    Theoretical chemistry accounts 16 (1970), S. 226-238 
    Details
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die Reihe von Rotationsisomeren, die man vom 2-Fluoracetaldehyd gewinnen kann, wurde mit Hilfe der CNDO/2-Methode und einer SCF-CI-Technik untersucht. ZusammenhÄnge, welche die relativen StabilitÄten innerhalb der Reihe sowie die Dipolmomente, Spektren und die Leitung elektronischer Effekte betreffen, werden dargelegt.
    Abstract: Résumé On étudie la série des isomères rotationnels concevables pour le fluoro-2 acétaldehyde, par la méthode CNDO/2 et par une technique SCF-CI. Les calculs permettent d'établir des corrélations entre les stabilités relatives, les moments dipolaires, les spectres et la transmission des effets électroniques dans cette série.
    Notes: Abstract The series of rotational isomers obtainable from 2-fluoroacetaldehyde has been studied by the CNDO/2 method and by an SCF-CI technique. Correlations concerning relative stabilities within the series, dipole moments, spectra and the transmission of electronic effects, are presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00527567
    Location Call Number Expected 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...