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
  • Wiley  (34)
  • American Institute of Physics (AIP)  (16)
  • Springer Nature  (6)
  • American Ceramics Society  (3)
  • 1995-1999  (59)
  • 1
    Electronic Resource
    Electronic Resource
    Recurrence plots of experimental data: To embed or not to embed? (1998)
    Woodbury, NY : American Institute of Physics (AIP)
    Chaos 8 (1998), S. 861-871 
    Details
    ISSN: 1089-7682
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A recurrence plot is a visualization tool for analyzing experimental data. These plots often reveal correlations in the data that are not easily detected in the original time series. Existing recurrence plot analysis techniques, which are primarily application oriented and completely quantitative, require that the time-series data first be embedded in a high-dimensional space, where the embedding dimension dE is dictated by the dimension d of the data set, with dE≥2d+1. One such set of recurrence plot analysis tools, recurrence quantification analysis, is particularly useful in finding locations in the data where the underlying dynamics change. We have found that for certain low-dimensional systems the same results can be obtained with no embedding. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.166372
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Pulsed laser-induced single event upset and charge collection measurements as a function of optical penetration depth (1998)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 84 (1998), S. 690-703 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We use picosecond laser pulses to investigate single event upsets and related fundamental charge collection mechanisms in semiconductor microelectronic devices and circuits. By varying the laser wavelength the incident laser pulses deposit charge tracks of variable length, which form an approximation to the charge tracks resulting from high energy space particle strikes. We show how variation of the charge track length deposited by laser pulses allows the mechanisms of charge collection in semiconductor devices to be probed in a sensitive manner. With the aid of computer simulations, new insight into charge collection mechanisms for metal–semiconductor field effect transistor (MESFET) devices and heterojunction bipolar transistor devices is found. In the case of the MESFET we point out the correlation between charge collection in the device and the ensuing single event upset in the composite circuit. In favorable cases, we show how probing circuits with tunable laser pulses can estimate a charge collection depth, which is a circuit parameter important for the prediction of error rates for circuits operating in a space-radiation environment. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.368124
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    The vibrational spectrum of FC(O)O radical: A challenging case for single-reference electron correlation methods (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 6601-6607 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Calculation of the structure and vibrational spectrum of the fluoroformyloxyl radical, FC(O)O, using ab initio methods is complicated by orbital symmetry breaking in the Hartree–Fock wave function. While symmetry breaking is most directly corrected with multiconfiguration Hartree–Fock methods, the problem can also be attacked with single reference methods when combined with an electron correlation treatment that adequately mixes the Hartree–Fock determinants leading to the symmetry breaking. In this work the structure and vibrational spectrum of both the ground (X 2B2) and second excited (B 2A1) states of the FC(O)O radical are calculated using single-reference wave functions constructed in two different ways—unrestricted (UHF) and quasirestricted (QRHF) Hartree–Fock wave functions—in combination with a coupled cluster [CCSD and CCSD(T)] electron correlation treatment. We find that both methods must be employed with some caution, but in combination they provide reliable prediction of the vibrational spectrum of the FC(O)O radical. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470389
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Determination of the CC bond dissociation energy in cyanogen (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 1100-1101 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The CC bond dissociation energy (Do) in cyanogen is predicted using many-body perturba- tion (MP) and quadratic configuration interaction theory [QCISD(T)]. The dissociation limit is poorly predicted with many-body perturbation theory. At the QCISD(T)/6-311G(3df)//QCISD(T)/ 6-311G(2d) level of theory, the bond dissociation energy is predicted to be 132.8±2 kcal mol−1, which is in excellent agreement with experiment. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469460
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Infrared absorption of cis- and trans-alkali-metal peroxynitrites (MOONO, M=Li, Na, and K) in solid argon (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 4026-4034 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Potassium nitrate (KNO3) isolated in solid argon at 13 K was irradiated with emission from an ArF excimer laser at 193 nm. Recombination of the photofragments led to formation of both cis- and trans-potassium peroxynitrites (KOONO). The cyclic conformer, cis-KOONO, absorbs at 1444.5, 952.3, 831.6, and 749.1 cm−1, whereas trans-KOONO absorbs at 1528.4, 987.4, and 602.2 cm−1. The assignments are based on observed 18O- and 15N-isotopic shifts and comparison with similar compounds, cis–cis and trans–perp HOONO. Ab initio calculations using density functional theory at a Becke3LYP level predicted similar line positions and isotopic shifts for both conformers. Photoconversion among these three isomers was achieved at various wavelengths and periods of irradiation; cis-KOONO was photolyzed readily at 308 nm, whereas trans-KOONO increased slightly in intensity initially and was eventually transformed to KNO3 on prolonged irradiation. Similar results were obtained for LiNO3 and NaNO3; cis-LiOONO and cis-NaOONO absorb at (1423.4, 1422.0), 966.2, 874.2, 792.3 cm−1 and (1437.4, 1434.6), 961.4, 840.7, (770.9, 768.7) cm−1, respectively, whereas trans-LiOONO and trans-NaOONO absorb at (1581.6, 1580.4), (998.3, 995.6), 600.4 cm−1 and (1549.3, 1540.6), (996.3, 994.1), (609.4, 607.4) cm−1, respectively; the numbers in parentheses are due to line splitting. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469588
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Pressure dependence and metastable state formation in the photolysis of dichlorine monoxide (Cl2O) (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 2857-2868 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The photodissociation of dichlorine monoxide (Cl2O) was studied using broadband flash photolysis to investigate the influence of variations in the photolysis wavelength domain, bath gas pressure and bath gas identity on the yield and temporal dependence of the ClO product. ClO yields were independent of bath gas pressure when the photolysis spectral band extended to 200 nm (quartz cutoff) but for photolysis restricted to wavelengths longer than about 250 nm, ClO yields decreased with increasing bath gas pressure and there was a pressure-dependent delay in the formation of ClO. Under these conditions, a weak, highly structured absorption spectrum was observed in the range 16 600–26 000 cm−1 with a lifetime on the order of 500 ms. A portion of the spectrum could be analyzed (22 000–26 000 cm−1) which showed progressions having differences of 283, 443, and 505 cm−1. Ab initio calculations were performed to evaluate vertical excitation energies and oscillator strengths from the lowest-energy singlet (X 1A1) or triplet (1 3B1) states to various excited states. The calculations indicated that the 2 3A2←1 3B1 transition has an unusually large oscillator strength. The transition energy, 3.05 eV, is consistent with the observed metastable spectrum. The observed pressure dependence of ClO formation could be modeled using a mechanism which assumed that Cl2O excitation at wavelengths longer than about 300 nm leads to rapid intersystem crossing to two metastable states in the triplet manifold. These states undergo competitive dissociation to ClO+Cl and collisional relaxation to the ground state. The dynamics of Cl2O may serve as a model for other molecules of importance in the earth's lower stratosphere such as ClONO2 where filtering of the solar spectrum by ozone restricts photolysis to the weak tail of the absorption continuum. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471109
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    A CASSCF-MRCI study of the electronic excited states of FClO and FOCl (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 2404-2409 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The potential energy curves for the low-lying excited states of FClO and FOCl have been computed using the complete active space self-consistent field (CASSCF) with cc-pVTZ basis sets. The vertical excitation energies for the excited states were calculated using the multireference configuration interaction (MRCI) method with cc-pVTZ and cc-pVTZ+sp basis sets. The vertical excitation energies were also obtained using the EOM-CCSD (equation of motion-coupled-cluster single double) method with cc-pVTZ basis sets. Results show that Rydberg character is not present in the excited states studied here for both FClO and FOCl. For FClO, all the excited states studied are repulsive along the F–Cl coordinate, but some of the excited states are bound along the Cl–O coordinate. For FOCl, all the excited states studied are dissociative along both the F–O and O–Cl coordinates. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477945
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    Adiabatic electron affinity and ionization potential for BrO radical (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 10818-10822 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The adiabatic electron affinity (EA) and ionization potential (IP) for the BrO radical have been computed at high levels of theory. Specifically, the singles and doubles coupled-cluster method that includes a perturbational correction for connected triple excitations, denoted CCSD(T), has been used in conjunction with several one-particle basis sets. The largest basis sets are of the atomic natural orbital (ANO) type and include up through g functions. Our best IP and EA values, 241.1±0.8 and 55.6±1.8 kcal mol−1, respectively, have been obtained by extrapolating the CCSD(T)/ANO results to the one-particle basis-set limit, and are in excellent agreement with the latest experimental values. Our best computed IP shows, definitively, that the experimental result due to Monks et al. is more reliable than the value given by Lias et al. The reliability of our CCSD(T)/ANO calculations is also demonstrated by the excellent agreement between experiment and our best calculations for the BrO and BrO− equilibrium bond distances and vibrational frequencies. Our calculations provide the most reliable equilibrium bond distance, 1.640 Å, and vibrational frequency, 854 cm−1, for BrO+ to date, since experimental data are unavailable. Based on the agreement found for BrO and BrO−, we expect the BrO+ bond distance and vibrational frequency to be accurate to within ±0.005 Å and ±20 cm−1, respectively. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477778
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    Complete active space self-consistent field and multireference configuration interaction studies of the differences between the low-lying excited states of HO2 and HO2–H2O (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 9017-9019 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The vertical excitation energies for the three lowest excited states of HO2 and the HO2–H2O complex and the molecular orbitals of the HO2–H2O complex map to the excited states have been calculated with complete active space self-consistent field and multireference configuration interaction (CASSCF) and (MRCI) methods of the corresponding states of HO2. Significant differences between the vertical excited state energies of HO2 and the HO2–H2O complex are found. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478821
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    Molecular structure, vibrational frequencies, and energetics of the HOCO+ ion (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 9039-9045 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Equilibrium geometries have been optimized and harmonic vibrational frequencies obtained for each of the neutral and protonated structures of HOCO employing augmented coupled cluster methods. Calculations on CO and CO2 have been performed to assist in calibrating the computed results. The proton affinity is estimated to be 130.7 kcal mol−1 and is in good agreement with experiments. Adiabatic ionization potential for HOCO is estimated to be 184.4 kcal mol−1 (8.01 eV) and is found to be discrepant with the measurements of Ruscic, Schwarz, and Berkowitz [J. Chem. Phys. 91, 6780 (1989)]. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.475193
    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...