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41.
We report new ab initio results for the interaction-induced dipole moments Δμ of hydrogen molecules colliding with helium atoms. These results are needed in order to calculate collision-induced absorption spectra at high temperatures; applications include modeling the radiative profiles of very cool white dwarf stars, with temperatures from 3500 K to 9000 K. We have evaluated the dipoles based on finite-field calculations, with coupled cluster methods in MOLPRO 2006 and aug-cc-pV5Z (spdfg) basis sets for both the H and He centers. We have obtained values of Δμ for eight H(2) bond lengths ranging from 0.942 a.u. to 2.801 a.u., for 15 intermolecular separations R ranging from 2.0 a.u. to 10.0 a.u., and for 19 different relative orientations. In general, our values agree well with earlier ab initio results, for the geometrical configurations that are treated in common, but we have determined more points on the collision-induced dipole surface by an order of magnitude. These results make it possible to calculate transition probabilities for molecules in excited vibrational states, overtones, and rotational transitions with ΔJ > 4. We have cast our results in the symmetry-adapted form needed for absorption line shape calculations, by expressing Δμ as a series in the spherical harmonics of the orientation angles of the intermolecular vector and of a unit vector along the H(2) bond axis. The expansion coefficients depend on the H(2) bond length and the intermolecular distance R. For large separations R, we show that the ab initio values of the leading coefficients converge to the predictions from perturbation theory, including both classical multipole polarization and dispersion effects. 相似文献
42.
Chitra Shukla Anindita Banerjee Anirban Pathak 《International Journal of Theoretical Physics》2013,52(10):3790-3796
Recently bidirectional controlled perfect teleportation using 5-qubit states are reported in Int. J. Theor. Phys. (2013), doi:10.1007/s10773-013-1484-8 and ibid (2012), doi:10.1007/s10773-012-1208-5. In this paper we have shown that there exists a class of 5-qubit quantum states that can be used for bidirectional controlled teleportation. Two out of the three reported cases are the special cases of the proposed class of 5-qubit quantum states and one of them is not strictly a case of controlled bidirectional quantum teleportation. Further, we have shown that one can in principle, construct infinitely many 5-qubit quantum states for this purpose. We have also shown that the idea can be extended to bidirectional controlled probabilistic teleportation. Some potential applications of the proposed scheme and its modified versions are also discussed in relation with the implementation of quantum remote control and quantum cryptography. 相似文献
43.
Reenamoni Saikia Chaliha K. Annapurna Anal Tarafder V.S. Tiwari P.K. Gupta Basudeb Karmakar 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2010,75(1):243-250
Precursor glass of composition 25K2O–25Nb2O5–50SiO2 (mol%) doped with Er2O3 (0.5 wt% in excess) was isothermally crystallized at 800 °C for 0–100 h to obtain transparent KNbO3 nanostructured glass–ceramics. XRD, FESEM, TEM, FTIRRS, dielectric constant, refractive index, absorption and fluorescence measurements were carried out to analyze the morphology, dielectric, structure and optical properties of the glass–ceramics. The crystallite size of KNbO3 estimated from XRD and TEM is found to vary in the range 7–23 nm. A steep rise in the dielectric constant of glass–ceramics with heat-treatment time reveals the formation of ferroelectric nanocrystalline KNbO3 phase. The measured visible photoluminescence spectra have exhibited green emission transitions of 2H11/2, 4S3/2 → 4I15/2 upon excitation at 377 nm (4I15/2 → 4G11/2) absorption band of Er3+ ions. The near infrared (NIR) emission transition 4I13/2 → 4I15/2 is detected around 1550 nm on excitation at 980 nm (4I15/2 → 4I11/2) of absorption bands of Er3+ ions. It is observed that photoluminescent intensity at 526 nm (2H11/2 → 4I15/2), 550 nm (4S3/2 → 4I15/2) and 1550 nm (4I13/2 → 4I15/2) initially decrease and then gradually increase with increase in heat-treatment time. The measured lifetime (τf) of the 4I13/2 → 4I15/2 transition also possesses a similar trend. The measured absorption and fluorescence spectra reveal that the Er3+ ions gradually enter into the KNbO3 nanocrystals. 相似文献
44.
Nadanathangam Vigneshwaran Gopalakrishnapillai Bijukumar Nivedita Karmakar Sneh Anand Anoop Misra 《Macromolecular Symposia》2003,193(1):119-128
Isoelectric focusing (IEF) of glycated hemoglobin (GHb) was carried out in ultra-thin polyacrylamide gels to separate the hemoglobin-advanced glycation endproducts (Hb-AGEs) from the hemoglobin-A1C (HbA1C) fraction. Precast polyacrylamide gels (Ampholine® PAGplate) were used in Pharmacia LKB Multiphor II for this purpose. The separated bands for Hb-AGE and HbA1C based on their isoelectric point (pI), were confirmed with the purifed fractions obtained from the cation exchange chromatographic technique. From the calibration curve, the pI values were found to be 6.748 and 6.495 for HbA1C and Hb-AGE, respectively. The lowering of pI values for glycated hemoglobin, when compared to unglycated hemoglobin (pI = 6.852), can be attributed to the glycation at the amino terminals of the peptide chains. Increased reduction in pI value for Hb-AGE can be attributed to the effect of glycation of amino groups at various sites on the peptide chains, apart from the terminal amino groups. Fluorescence analysis was carried out for the purified fraction of Hb-AGE which showed the formation of a new fluorophor adduct having the excitation and emission maxima at 308 nm and 345 nm, respectively. Time-dependent formation of Hb-AGE under in vitro conditions was monitored by fluorescence (308/345 nm) over a period of 120 days, which showed its formation only after 3 weeks of incubation. 相似文献
45.
A temperature-dependent integrated kinetics for the overall process of photosynthesis in green plants is discussed. The C4 plants are chosen and in these plants, the rate of photosynthesis does not depend on the partial pressure of O2. Using some basic concepts like chemical equilibrium or steady state approximation, a simplified scheme is developed for
both light and dark reactions. The light reaction rate per reaction center (R′
1) in thylakoid membrane is related to the rate of exciton transfer between chlorophyll neighbours and an expression is formulated
for the light reaction rate R′
1. A relation between R′
1 and the NADPH formation rate is established. The relation takes care of the survival probability of the membrane. The CO2 saturation probability in bundle sheath is also taken into consideration. The photochemical efficiency (ϕ) is expressed in terms of these probabilities. The rate of glucose production is given by R
glucose = (8/3)(R′
1
v
L
)ϕ(T)
g
(T) ([G3P]/[P
i]2
leaf)SS
Q
G3P→glucose where g is the activity quotient of the involved enzymes, and G3P represent glycealdehyde-3-phosphate in steady state. A Gaussian
distribution for temperature-dependence and a sigmoid function for de-activation are incorporated through the quotient g. In general, the probabilities are given by sigmoid curves. The corresponding parameters can be easily determined. The theoretically
determined temperature-dependence of photochemical efficiency and glucose production rate agree well with the experimental
ones, thereby validating the formalism. 相似文献
46.
P. K. Karmakar R. Bera G. Tarafdar A. Maitra A. K. Sen 《International Journal of Infrared and Millimeter Waves》1991,12(11):1333-1348
Rain, perhaps, is the worst offender for utilising Millimeterwaves in practice. This paper describes the rain rate distribution from which millimeterwave attenuation distribution have been attempted. Results reveal that in our location (Calcutta: lat 23°N long 88.5°E) the rain rate distribution fits well with normal distribution. The cumulative distribution of rain rate also prompted the present authors to find out rain attenuation cumulative distribution for both terrestrial and earth-space paths in millimeterwave band. 相似文献
47.
Like liquid alkali metalsd-shell liquid metals show scaling behaviour in structure and interaction potentials. A realistic interaction potential model,
properly parametrized can reasonably describe the universality in the isothermal compressibility and vacancy formation energy
of 3d-liquid metals in electron ion plasma model. 相似文献
48.
The average effective pair potential energy function between two neighbouring molecules has been computed from the centre structure factor data of water and this shows an unusual feature at short range due to strong hydrogen bonding. The effective potential is highly temperature dependent and at elevated temperature it turns out to be approximately like that for simple liquids. The effective potential can be represented satisfactorily by the square well model. 相似文献
49.
The photoelectron spectrum of ZrSi(-) has been measured at two different photon energies: 2.33 eV and 3.49 eV, providing electron binding energy and photoelectron angular distribution information. The obtained vertical detachment energy of ZrSi(-) is 1.584(14) eV. The neutral ground and excited state terms are assigned based on experimental and theoretical results. The ground state of ZrSi is tentatively assigned as a (3)Σ(+) state with a configuration of 1σ(2) 1π(4) 1δ(0) 2σ(1) 3σ(1). A low lying (3)Π(i) neutral excited state is identified to be 0.238 eV (1919 cm(-1)) above the ground state. The anion ground state is designated as a (2)Σ(+) state with a 1σ(2) 1π(4) 1δ(0) 2σ(2) 3σ(1) valence electron configuration. A Franck-Condon (FC) simulation of the photoelectron spectrum has been carried out. For the (3)Σ(+) ← (2)Σ(+) band, theoretically calculated bond lengths and frequencies are used in the FC calculation which give good agreement with experiment, while for the (3)Π(i) ← (2)Σ(+) band, the ZrSi bond length is estimated from the FC spectrum. Comparisons are made with previously published theoretical studies and inconsistencies are pointed out. To the best of our knowledge, this study provides the first spectroscopic information on the transition metal-silicon diatomic, ZrSi. 相似文献
50.
Dr. Anirban Bardhan Dr. Wes Brown Savannah Albright Prof. Michael Tsang Prof. Lance A. Davidson Prof. Alexander Deiters 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2024,136(17):e202318773
Conditionally controlled antisense oligonucleotides provide precise interrogation of gene function at different developmental stages in animal models. Only one example of small molecule-induced activation of antisense function exist. This has been restricted to cyclic caged morpholinos that, based on sequence, can have significant background activity in the absence of the trigger. Here, we provide a new approach using azido-caged nucleobases that are site-specifically introduced into antisense morpholinos. The caging group design is a simple azidomethylene (Azm) group that, despite its very small size, efficiently blocks Watson–Crick base pairing in a programmable fashion. Furthermore, it undergoes facile decaging via Staudinger reduction when exposed to a small molecule phosphine, generating the native antisense oligonucleotide under conditions compatible with biological environments. We demonstrated small molecule-induced gene knockdown in mammalian cells, zebrafish embryos, and frog embryos. We validated the general applicability of this approach by targeting three different genes. 相似文献