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  • 1
    Electronic Resource
    Electronic Resource
    Stochastic resonance with explicit internal signal (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 6590-6595 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new type of internal signal stochastic resonance (ISSR) is found and investigated numerically by simulating a chemical model, which is proposed to account for chaos in the Belousov–Zhabotinsky reaction. When the system is in the dynamical region of period-1 oscillation, Gaussian white noise perturbation of the control parameter causes maxima to appear on the curve of signal-to-noise ratio versus noise intensity, showing the characteristic of stochastic resonance. The differences between this new type ISSR and the previous one studied by Hu et al. [Phys. Rev. Lett. 71, 807 (1993)] and Xin et al. [J. Chem. Phys. 111, 721 (1999)] are discussed. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1398314
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  • 2
    Electronic Resource
    Electronic Resource
    Rigorous solutions of diatomic molecule oscillator with empirical potential function in phase space (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 4565-4571 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Within the framework of the quantum phase-space representation established by Torres-Vega and Frederick, the rigorous solutions of the Schrödinger equation of the diatomic molecule oscillator with an empirical potential function are solved and discussed, and the Heisenberg uncertainty principle is interpreted in this physical system. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1287282
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  • 3
    Electronic Resource
    Electronic Resource
    Comment on "A quantum mechanical representation in phase space'' [J. Chem. Phys. 98, 3103 (1993)] (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 7187-7188 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this comment questions about the improper eigenfunctions in J. Chem. Phys. 98, 3103 (1993) are addressed and the other suitable eigenfunctions are suggested at the same time.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468276
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  • 4
    Electronic Resource
    Electronic Resource
    Synthesis of Perovskite-Type LaMnO〈sub〉3〈/sub〉 under Hydrothermal Conditions (2005)
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 475-479 (Jan. 2005), p. 4051-4054 
    Details
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The precursor of LaMnO3 obtained by the reaction of metal salt with potassiumhydroxide was subjected to hydrothermal condition in an autoclave then the precipitate was treated in different temperatures (600-900℃). The effect of precursor type and hydrothermal crystallization conditions on the morphology of lanthanide manganese grains was investigated. The morphology and the structure of the products was studied by transmission electron microscope (TEM) and X-ray diffraction (XRD). Different shapes of LaMnO3 can be obtained by controlling prepare condition and treated temperature. The XRD results showed the formation of perovskite-type LaMnO3
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/02/10/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.475-479.4051.pdf
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  • 5
    Electronic Resource
    Electronic Resource
    Structures and stability of N9, N9 − and N9 + clusters (2000)
    Springer
    Theoretical chemistry accounts 104 (2000), S. 67-77 
    Details
    ISSN: 1432-2234
    Keywords: Key words: Nitrogen clusters – Ab initio molecular orbital calculation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract.  Ab initio molecular orbital calculations for N9, N− 9 and N+ 9 isomers were carried out at the HF/ 6-31G*, B3PW91/6-31G*, B3LYP/6-31G* and MP2/ 6-31G* levels of theory. Stable equilibrium geometric structures were determined by harmonic vibrational frequency analyses at the HF/6-31G*, B3PW91/6-31G* and B3LYP/6-31G* levels of theory. The most stable free-radical N9 cluster is structure 1 with C 2 v symmetry and that of anion N− 9 is structure 3 with C s symmetry. Only one stable structure of the N+ 9 cation with C 2 v symmetry was predicted. Their potential application as high-energy-density materials has been examined.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002149900111
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  • 6
    Electronic Resource
    Electronic Resource
    Topological structures of tetrahedral (Td and T) fullerenes with hexagonal and triangular faces and their vibration and NMR spectra (1999)
    Springer
    Theoretical chemistry accounts 102 (1999), S. 72-77 
    Details
    ISSN: 1432-2234
    Keywords: Key words: Fullerenes ; Tetrahedral symmetry ; IR active ; Raman active ; NMR
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract. On analyzing the topological structures of the three types of tetrahedral fullerenes (which consist only of triangles and hexagons), (1) C n (T d ,n=12h 2; h=1,2,…), (2) C n (T d ,n=4h 2;h=1,2,…), and (3) C n (T,n=4(h 2+hk+k 2);h〉k,h,k=1,2,…), we have obtained theoretically the Infrared and Raman active modes by means of the derived formulas for the decomposition of their nuclear motions into irreducible representations, and the 13C NMR spectra with natural abundance for 13C by using the distribution functions for all of the tetrahedral (T d and T) fullerenes, respectively.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002140050474
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  • 7
    Electronic Resource
    Electronic Resource
    NMR spectra of icosahedral (Ih and I) fullerenes (1999)
    Springer
    Journal of mathematical chemistry 25 (1999), S. 1-6 
    Details
    ISSN: 1572-8897
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mathematics
    Notes: Abstract By analyzing the topological structures of the three types of icosahedral fullerenes: (1) $${\text{C}}_n \left( {{\text{I}}_{\text{h}} ,\;n = 60h^2 ,\;h = 1,2,...} \right)$$ , (2) $${\text{C}}_n \left( {{\text{I}}_{\text{h}} ,\;n = 20h^2 ,\;h = 1,2,...} \right)$$ and (3) $${\text{C}}_n \left( {{\text{I}},\;n = 20\left( {h^2 + hk + k^2 } \right),\;h 〉 k,\;h,k = 1,2,...} \right)$$ , we have obtained theoretically the 13C NMR spectra with natural abundance for 13C of all the icosahedral (Ih and I) fullerenes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1019103626595
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  • 8
    Electronic Resource
    Electronic Resource
    Lie groups and unitary transformations in ligand field theory (1983)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 169-183 
    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: Unitary transformations are performed with respect to three Lie group chains in quasispin schemes that are involved in the study of three different calculation schemes in ligand field theory. The unitary transformations hold true for either molecular or atomic orbitals being taken as the starting point. As a result, unitary transformations with respect to matrix elements are accomplished as well.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560230117
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  • 9
    Electronic Resource
    Electronic Resource
    A structural rule of polyhedral boranes and heteroboranes (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 579-587 
    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 this paper we propose a topological rule to account for both the simple and conjuctopolyhedral boranes and heteroboranes. The calculated results are in good agreement with the real molecular formulas. Furthermore, we have also made some quantum chemistry calculations to verify and discuss the rule.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560290402
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  • 10
    Electronic Resource
    Electronic Resource
    Quantum chemistry study on B14, B142-, and B14H142- (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 173-179 
    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 structure of B14, B142-, and B14H142- in octahedral symmetry has been investigated by ab initio calculations at the STO-3G and 4-31G levels. The relationship of molecular orbitals among them has been analyzed and it can be found that the number of valence bonding orbitals of high borane obeys the Wade rule. The similarities and difference between boron clusters and carbon clusters are also discussed. © 1994 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500302
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