نتایج جستجو برای: gaussian 03
تعداد نتایج: 107607 فیلتر نتایج به سال:
in this paper, the detector of moving target in mimo radar with widely separated antenna in the presence of α-stable clutter is proposed. due to the complexity of unknown parameter estimation in the presence of target, the rao test is applied. the α-stable model is a general model that can applied to different environments with appropriate selection of parameters. the problem with this model is...
In this paper we attempt to give a historical account of the main ideas leading to the development of non-linear filtering and stochastic control as we know it today. The paper contains six sections. In Section 2 we present a development of linear filtering theory, beginning with Wiener-Kolmogoroff filtering and ending with Kalman filtering. The method of development is the innovations method a...
A reaction route accounting for the formation of levulinic acid from 5hydroxymethylfuran-2-carbaldehyde was deduced on the basis of the mechanism previously offered by Horvat, to match the steps with more details. A newly deduced reaction route was proposed between two intermediate products within this mechanism, and the probabilities of the two mechanisms were compared by Gaussian 03 software....
Pyridine derivatives based on the addition of trinitromethyl functional groups were synthesized by the reaction of N₂O₄ with the corresponding pyridinecarboxaldoximes, then they were converted into dinitromethylide hydrazinium salts. These energetic compounds were fully characterized by IR and NMR spectroscopy, elemental analysis, differential scanning calorimetry (DSC), and X-ray crystallograp...
Through-space isotropic NMR shielding values of a perpendicular diatomic hydrogen probe moved in a 0.5 Å grid 2.5 Å above several polycyclic aromatic/antiaromatic ring and aromatic/aromatic hydrocarbons were computed with Gaussian 03 at the GIAO HF/6-31G(d,p) level. Combinations of benzene fused with cyclobutadiene, with the tropylium ion, and with the cyclopentadienyl anion were investigated. ...
The paper briefly reviews several recent results on hierarchical architectures for learning from examples, that may formally explain the conditions under which Deep Convolutional Neural Networks perform much better in function approximation problems than shallow, one-hidden layer architectures. The paper announces new results for a non-smooth activation function – the ReLU function – used in pr...
Synthesis, characterization, spectral and theoretical calculations of potassium trifluorothiocya noborate (III) (PTFTCB) has been studied. Potassium trifluorothiocyanoborate (III) was synthesized and characterized by IR, UV/VIS, B-NMR and mass spectrometer techniques. The structure of synthesized compound was optimized at the B3LYP/LANL2DZ level of theory and theoretical parameters such as stru...
BACKGROUND Theoretical analyses of the indigo dye molecule and its derivatives with Chlorine (Cl), Sulfur (S), Selenium (Se) and Bromine (Br) substituents, as well as an analysis of the Hemi-Indigo molecule, were performed using the Gaussian 03 software package. RESULTS Calculations were performed based on the framework of density functional theory (DFT) with the Becke 3- parameter-Lee-Yang-P...
A coumarin-based prodrug system plays a significant role in preparing esterase-sensitive prodrugs of amines and peptides. The electronic structures of 27 coumarin-based prodrugs developed in our lab were calculated at a B3LYP/6-31+G (d,p) level with a Gaussian 03 program. The calculated structural parameters were taken as theoretical descriptors to establish five novel QSPR models. The SMLR lin...
Hydroxylamine nitrate (HAN) is an important member of the hydroxylamine family and it is a liquid propellant when combined with alkylammonium nitrate fuel in an aqueous solution. Low concentrations of HAN are used primarily in the nuclear industry as a reductant in nuclear material processing and for decontamination of equipment. Also, HAN has been involved in several incidents because of its i...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید