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  • 1
    Electronic Resource
    Electronic Resource
    Molecular structures of mononitroanilines and their thermal decomposition products (1997)
    Springer
    Theoretical chemistry accounts 95 (1997), S. 99-112 
    Details
    ISSN: 1432-2234
    Keywords: Nitroamline ; Internal rotation ; Molecular orbital ; Molecular structure ; Intramolecular transfer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The molecular structures of 2-nitro, 3-nitro, and 4-nitroaniline and their internal rotational isomers were calculated by anab-initio method using HF/6-31G* basis set. The geometries were influenced by the nitro group's position. The perturbation of the amino group on the nitro group was observed in a 2-nitroaniline isomer having a molecular structure distinct from that of the other two isomers. Among them, 4-nitroaniline is the most stable one. Internal rotation tests of either the nitro or amino group of 3-nitro and 4-nitroaniline indicate that no significant deformations of the phenyl ring occurred after internal rotation; however, the internal rotational isomers of 2-nitroaniline differed from its original structure. Relatively easier internal rotation of the nitro group than the amino group and different C-NO2 and C-NH2 bonds indicate the bond-breaking message of nitroanilines. As products of explosives induced by thermal or shock are of interest, five products of 2-nitroaniline were selected to assess their geometries and energies. The above calculations revealed that these products are thermodynamically unfavorable.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02341695
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  • 2
    Electronic Resource
    Electronic Resource
    Growth responses of rice in ammonium-based nutrient solution with variable calcium supply (1990)
    Springer
    Plant and soil 125 (1990), S. 239-244 
    Details
    ISSN: 1573-5036
    Keywords: ammonium ; calcium ; CO2 exchange rate ; GS/GOGAT ; rice rubisco
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract It is commonly known that calcium promotes NO3 - uptake in many crop species. However, calcium enhancement of NH4 + uptake by plants has received little attention. This study aimed to evaluate the effect of Ca supplements on NH4 + uptake and plant growth in solution cultured rice. Supplemental Ca applied at vegetative and reproductive phases of plant ontogeny tended to stimulate NH4 + absorption, and accordingly resulted in a better straw and grain yield. However, excessively supplied Ca (400 ppm) was detrimental to plant growth. Increases in straw and grain yield observed at Ca levels up to 300 ppm were linked to the Ca-enhanced activities of glutamine synthetase (GS), glutamate synthase (GOGAT), and ribulose 1, 5-bisphosphate carboxylase/oxygenase (Rubisco).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00010662
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  • 3
    Electronic Resource
    Electronic Resource
    Molecular structures of mononitroanilines and their thermal decomposition products (1997)
    Springer
    Theoretica chimica acta 95 (1997), S. 99-112 
    Details
    ISSN: 0040-5744
    Keywords: Key words: Nitroaniline ; Internal rotation ; Molecular orbital ; Molecular structure ; Intramolecular transfer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract.  The molecular structures of 2-nitro, 3-nitro, and 4-nitroaniline and their internal rotational isomers were calculated by an ab-initio method using HF/6-31G* basis set. The geometries were influenced by the nitro group’s position. The perturbation of the amino group on the nitro group was observed in a 2-nitroaniline isomer having a molecular structure distinct from that of the other two isomers. Among them, 4-nitroaniline is the most stable one. Internal rotation tests of either the nitro or amino group of 3-nitro and 4-nitroaniline indicate that no significant deformations of the phenyl ring occurred after internal rotation; however, the internal rotational isomers of 2-nitroaniline differed from its original structure. Relatively easier internal rotation of the nitro group than the amino group and different C–NO2 and C–NH2 bonds indicate the bond-breaking message of nitroanilines. As products of explosives induced by thermal or shock are of interest, five products of 2-nitroaniline were selected to assess their geometries and energies. The above calculations revealed that these products are thermodynamically unfavorable.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002140050187
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