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  • Articles  (3)
  • Computational Chemistry and Molecular Modeling  (2)
  • [abr] GTP; guanosine triphosphate  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Prostaglandins 2 (1972), S. 441-452 
    ISSN: 0090-6980
    Keywords: [abr] ADP; adenosine diphosphate ; [abr] AMP-PNP; 5'-adenylyl-imidodiphosphate ; [abr] ATP; adenosine triphosphate ; [abr] CTP; cytidine triphosphate ; [abr] GDP; guanosine diphosphate ; [abr] GMP; guanosine monophosphate ; [abr] GTP; guanosine triphosphate ; [abr] PGE"1; prostaglandin E"1 ; [abr] PGE"2; prostaglandin E"2 ; [abr] PY"1; 7-oxa-13-prostynoic acid ; [abr] TSH; thyrotropin ; [abr] UTP; uridine triphosphate ; [abr] cyclic AMP (cAMP); cyclic 3',5'-adenosine monophosphate
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Medicine
    Type of Medium: Electronic Resource
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  • 2
    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: Single-reference coupled-cluster methods corresponding to various approximate forms of the cluster operator including up to four-electron operators are applied to the simple H4 model system with the aim of numerically studying the attainability and properties of multiple solutions of the systems of nonlinear equations for the cluster amplitudes. Various solutions have been obtained for the excited states 21 A1 and 51 A1. It is documented that there exist nonphysical nonstandard solutions that yield energies very close to the physical ones. A simple way of selecting the physically meaningful solutions is proposed. It is demonstrated that the attainability of nonstandard solutions describing a state of H4 within the framework of a given SE-CC method strongly depends on the cluster structure of that state. © 1994 John Wiley & Sons, Inc.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
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  • 3
    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: Single-reference coupled-cluster (SR-CC) methods parametrized with respect to four alternative reference-state configurations and orbital sets are applied to the simple H4 model system in which the degree of quasi-degeneracy of the electronic states can be varied in a wide range. Both the ground state and 10 excited states are considered with the aim of numerically studying the attainability and properties of multiple solutions of the system of nonlinear equations for the cluster amplitudes. Comparisons of up to four alternative descriptions of a given state in terms of various solutions of the SR-CC equations are made. It is found that for some excited states different parametrizations yield very close results and that the classification of the solutions into standard and nonstandard ones may not be straightforward. © 1995 John Wiley & Sons, Inc.
    Additional Material: 12 Tab.
    Type of Medium: Electronic Resource
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