نتایج جستجو برای: rate constants
تعداد نتایج: 994569 فیلتر نتایج به سال:
in this thesis a calibration transfer method is used to achieve bilinearity for augmented first order kinetic data. first, the proposed method is investigated using simulated data and next the concept is applied to experimental data. the experimental data consists of spectroscopic monitoring of the first order degradation reaction of carbaryl. this component is used for control of pests in frui...
some new water-soluble schiff base complexes of na2[m(5-so3-1,2-salophen)].nh2o; (5-so3-1,2-salophen = n,n’-bis(5-sulphosalicyliden)-1,2-phenylendiamine); na2[m(5-so3-2,3-salpyr)(h2o)n].2h2o; (5-so3-2,3-salpyr = n,n’-bis(5-sulphosalicyliden)-2,3-diaminopyridine); and na2[m(5-so3-3,4-salbenz)(h2o)n].nh2o; (5-so3-3,4-salbenz = n,n’-bis(5-sulphosalicyliden)-3,4-diaminobenzophenon); where m = cu, n...
preliminary investigation on antioxidative potentials of defatted fermented locust bean extract in comparison to defatted non-fermented locust bean was conducted. qualitative antioxidative assessment on the extract was accomplished by screening the phytochemical endowment, and similar bioactive components. also some antioxidative indices were quantitatively evaluated. results showed that the de...
classical trajectory (monte carlo) calculation is used to calculate collision rate constants of ion-quadrupolar molecule interactions for the h¯+c2h2 system. the method presented here takes into account the effect of the induced dipole-induced dipole potential on ion-quadrupolar molecule collision rate constants. it is also assumed that the colliding particles have a definite size. the thermal ...
The EM algorithm, e.g. as Baum-Welch reestimation, is an important tool for parameter estimation in discrete-time Hidden Markov Models. We present a direct reestimation of rate constants for applications in which the underlying Markov process is continuous in time. Previous estimation of discrete-time transition probabilities is not necessary.
a classical theory is developed which calculates the momentum transfer rate constant between an ion and a non-polar molecule. the model takes into consideration the effect of diffraction outside the capture limit on the rate constants. the theory is used to calculate momentum transfer rate constant for cl- with trans-dichloroethylene and para-difluorobenzene. theoretical results are compared to...
the hydrogen abstraction reaction by oh radical from ch2brch2br (r1) and ch₃chbr2 (r2) is investigated theoretically by semi-classical transition state theory. the stationary points for both reactions are located by using ωb97x-d and kmlyp density functional methods along with cc-pvtz basis. single-point energy calculations are performed at the qcisd(t) and ccsd(t) levels of theory with differe...
: 1h nmr spectra of a series of enaminones r-co-ch=c(nhch2ph)-r [1, r=ch3; 2, r=c6h5; 3, r=cf3; 4, r=ch2ch2ch2; 5, r=ch2c(ch3)2ch2], were obtained in the presence of trifluoroacetic acid in cdcl3 or dmso-d6 at 28 °c. steric, solvent, electronic and hydrogen bonding effects on the rates of acid-catalyzed nh proton exchanges were investigated. rate constants were calculated by 1h nmr line shape ...
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