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  • 1
    Electronic Resource
    Electronic Resource
    Overcoming the zero-point dilemma in quasiclassical trajectories: (He,H+2) as a test case (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 6021-6028 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a new technique for circumventing the problem of the zero-point leak in classical trajectories by extending the action-billiard approach of de Aguiar and Ozorio de Almeida [Nonlinearity 5, 523 (1992)]. In addition to demonstrating its utility in a model problem, we examine the application of various methods of overcoming the zero-point leak in the case of collinear He+H+2 collisions. We also show that not neglecting leaky trajectories gives, on an average, good agreement with quantal results for collinear as well as 3-dimensional collisions. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470430
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  • 2
    Electronic Resource
    Electronic Resource
    Selective efficiency of vibrational excitations in ion–molecule collisions: A comparison of behavior for H+–H2 and H−–H2 (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 2940-2948 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The vibrational excitation processes which occur in molecular beam experiments on H2 molecules, and using H+ or H− as projectiles, are discussed from the theoretical viewpoint of the microscopic quantum dynamics and in relation to the various features of the two potential energy surfaces. The present study employs the vibrational close-coupling–rotational infinite-order sudden (VCC–RIOS) decoupling scheme and analyzes in detail the differences of behavior of the various inelastic differential cross sections in the small-angle region. It is clearly found that two separate mechanisms can be invoked in the two systems to explain the differences in efficiency between the two excitation processes. Such mechanisms can be related in turn to specific features of the two potential energy surfaces and to their bearing on the final dynamical observables. Rather good agreement between calculated and observed cross sections is found for both systems. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470481
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  • 3
    Electronic Resource
    Electronic Resource
    Correlation effects and vibronic coupling features in the interaction of H− ions with N2 molecules (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 156-164 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: This paper discusses the calculation of the potential energy surfaces (PES) for the electronic singlet states of C2v and C∞v symmetries of a nitrogen molecule interacting with the atomic hydrogen negative ion. The behavior of such surfaces is analyzed as a function of relative orientations and also of the molecular internal coordinate. The PES's have been obtained using an ab initio, multireference configuration interaction method (MRDCI) and the effects of correlation forces and of basis set size are analyzed in order to understand the role of electron transfer (ET) processes which are likely to take place during closer collisions between partners and which are suggested to be responsible for the vibronic coupling effects which occur during low-energy scattering. The general features of the orientational anisotropy of this interaction, of its dependence on the molecular coordinate, and of the strength of its coupling with the impinging negative ion are also analyzed and discussed. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471861
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  • 4
    Electronic Resource
    Electronic Resource
    New iron(III) complexes with thiosemicarbazones derived from 5-methyl-3-formylpyrazole (1999)
    Springer
    Transition metal chemistry 24 (1999), S. 425-430 
    Details
    ISSN: 1572-901X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract New iron(III) complexes of 5-methyl-3-formylpyrazole thiosemicarbazone (HMPzTS) and 5-methyl-3-formylpyrazole-4-phenylthiosemicarbazone (HMPzPTS), namely [Fe(MPzTS)2]X and [Fe(MPzPTS)2]X respectively, where X=Cl, NO3, SCN and ClO4, have been synthesised and physico-chemically characterised by magnetic measurements (polycrystalline state), electronic, i.r., e.s.r. and Mössbauer spectra. All are cationic complexes containing two monoprotonic tridentate ligands with NNS donor sites and an anionic counterpart; they behave as 1:1 electrolytes in MeOH/DMF. Coordination to central iron(III) via the pyrazolyl nitrogen (2N), the azomethine nitrogen and the thiolato sulphur atom is confirmed in the complexes from i.r. data. E.s.r. data (RT & LNT) reveal the presence of a spin-paired iron(III) cation with d2 xyd2 yzd1 xy configuration. The 57Fe Mössbauer spectral data (RT) are commensurate with the presence of two iron(III) spin states, the percentage of each being dependent upon the counterion of the species.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1006919018997
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  • 5
    Electronic Resource
    Electronic Resource
    Generation of a heterobimetallic FeMoS system containing intermediate spin [FeIIN4S2] functionality: Synthesis, characterisation and redox chemistry of [(N–N)2FeS2MoS2] (N–N=bipy or phen) (1999)
    Springer
    Transition metal chemistry 24 (1999), S. 431-435 
    Details
    ISSN: 1572-901X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Tetrathiomolybdate reacts with iron (II) in the presence of bidentate ligands to form neutral binuclear complexes [Fe(N–N)2MoS4] [N–N=2-2′bipyridine(bipy) and 1,10-phenanthroline(phen)] showing intermediate spin character for FeII. The spin state of the complexes has been examined by variable temperature magnetic moment (VTM) measurements and by variable temperature Mössbauer spectroscopy. The Mössbauer spectra indicate the presence of two iron sites: one of intermediate spin and the other of low spin at room temperature. The low spin site predominates over the intermediate spin as the temperature is lowered. The structural features of the complexes are supported by i.r., Raman, electronic and FAB mass spectra and by X-ray powder diffraction data. Substitution of one bipy/phen ligand in [Fe(N–N)3]2+ by MS4 2− ligands does not impart any major effect towards the size of the redox potentials of the tris-bipy/phen complexes, although the reversible nature of their cyclic voltammetric response is affected.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1006927119230
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  • 6
    Electronic Resource
    Electronic Resource
    Riverine pollution in some northern and north eastern states of india (1992)
    Springer
    Environmental monitoring and assessment 22 (1992), S. 227-236 
    Details
    ISSN: 1573-2959
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Water samples from 30 rivers in northern and north-eastern hilly states of India were analysed for bacteriological and physicochemical parameters along with metals and pesticide residues. It was found that 34% of samples had 〉50 coliforms/100 ml, while 24% of samples demonstrated 〉50 thermotolerant (faecal) coliforms/100 ml. Among the metals, iron was found to be above maximum permissible limits in the rivers of all the states, while manganese was found to be above the maximum permissible limit in the rivers of Tripura and some northern states. Zinc, lead, nickel, chromium, copper, cobalt and cadmium plus physicochemical parameters and residual pesticides, however, were within their maximum permissible limits.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00419571
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  • 7
    Electronic Resource
    Electronic Resource
    Expression, Purification and Characterization of Peanut (Arachis hypogaea) Agglutinin (PNA) from Baculovirus Infected Insect Cells (1999)
    Springer
    Bioscience reports 19 (1999), S. 227-234 
    Details
    ISSN: 1573-4935
    Keywords: Peanut agglutinin ; baculovirus ; insect cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract Peanut (Arachis hypogaea) seed lectin, PNA is widely used to identify tumor specific antigen (T-antigen), Galβ1-3GalNAc on the eukaryotic cell surface. The functional amino acid coding region of a cDNA clone, pBSH-PN was PCR amplified and cloned downstream of the polyhedrin promoter in the Autographa californica nucleopolyhedrovirus (AcNPV) based transfer vector pVL1393. Co-transfection of Spodoptera frugiperda cells (Sf9) with the transfer vector, pAcPNA and AcRP6 (a recombinant AcNPV having B-gal downstream of the polyhedrin promoter) DNAs produced a recombinant virus, AcPNA which expresses PNA. Infection of suspension culture of Sf9 cells with plaque purified AcPNA produced as much as 9.8 mg PNA per liter (2.0 × 106 cells/ml) of serum-free medium. Intracellularly expressed protein (re-PNA) was purified to apparent homogeneity by affinity chromatography using ECD-Sepharose. Polyclonal antibodies against natural PNA (n-PNA) cross-reacted with re-PNA. The subunit molecular weight (30kDa), hemagglutination activity, and carbohydrate specificity of re-PNA were found to be identical to that of n-PNA, thus confirming the abundant production of a functionally active protein in the baculovirus expression system.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1020234005099
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  • 8
    Electronic Resource
    Electronic Resource
    Quality of water obtained by tapping shallow seepages in the Almota Hills, India (1996)
    Springer
    Environmental monitoring and assessment 43 (1996), S. 93-99 
    Details
    ISSN: 1573-2959
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract We studied the quality of water obtained using a new method of tapping underground water seepages by digging shallow water collection chambers in the Almora Hills of the state of Uttar Pradesh, India; quality of this water was compared with that of water obtained using traditional water sources in this region, namely naulas (surface seepages) and springs. Water from both the new and the traditional water sources had an excess of chromium and, in some samples, of iron and lead. Microbiological analysis showed that water from new water sources was safer than that obtained from tradional sources; however, only 40% of the shallow seepages provided water conforming to WHO standards on water quality. We conclude that tapping of underground water seepages may be a useful method of providing potable water to populations living in the hills. However, further improvement is necessary in the maintenance of the clean catchment area and in disposal of waste water from these water sources to ensure water quality.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00399573
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  • 9
    Electronic Resource
    Electronic Resource
    Transformation ofn-hexane over microporous molecular sieves: Studies over MeAPO-11 and MeAPSO-11 (1999)
    Springer
    Reaction kinetics and catalysis letters 68 (1999), S. 307-312 
    Details
    ISSN: 1588-2837
    Keywords: MeAPO-11 ; MeAPSO-11 ; n-hexane isomerization ; SAPO-11
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract CoAPO-11, MgAPO-11, ZnAPO-11, COAPSO-11, ZnAPSO-11 and MgAPSO-11 samples were synthesized by hydrothermal methods and characterized. The samples were loaded with 0.5 wt.% Pt and tested for their catalytic activities in the isomerization ofn-hexane. All the samples exhibited catalytic activities and selectivities for isomerization comparable to that of SAPO-11. The selectivities for the different monomethyl and dimethyl isomers are rationalized on the basis of shape selectivity and acidities of different samples.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02475517
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  • 10
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    Development and cost-benefit analysis of a novel process for biofuel production from microalgae using pre-treated high-strength fresh cheese whey wastewater (2020)
    Springer
    Details
    Publication Date: 2020-04-17
    Print ISSN: 0944-1344
    Electronic ISSN: 1614-7499
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Published by Springer
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