نتایج جستجو برای: semi empirical methods

تعداد نتایج: 2149770  

2006
E. A. de Barros A. Pascoal

The paper addresses the problem of autonomous underwater vehicle (AUV) modeling and parameter estimation as a means to predict the expected dynamic performance of underwater vehicles and thus provide solid guidelines during the design phase. The use of analytical and semi-empirical (ASE) methods to predict the hydrodynamic derivatives of the most popular class of AUVs is discussed. An applicati...

Journal: :Remote Sensing 2011
Leonid G. Sokoletsky Ross S. Lunetta Michael S. Wetz Hans W. Paerl

Two remote-sensing optical algorithms for the retrieval of the water quality components (WQCs) in the Albemarle-Pamlico Estuarine System (APES) were developed and validated for chlorophyll a (Chl). Both algorithms were semi-empirical because they incorporated some elements of optical processes in the atmosphere, water, and air/water interface. One incorporated a very simple atmospheric correcti...

2002
Karl Sohlberg

Semi-empirical (AM1) electronic structure calculations are reported on a pH-switchable [2] rotaxane whose synthesis was reported in [Angew. Chem. Int. Ed., 36 (1997) 1904]. The [2] rotaxane possesses two cationic binding sites, with different affinities toward dibenzo [24] crown-8 (the ring component of the [2] rotaxane) depending upon the pH of the system. The computational results capture thi...

Dasatinib is a tyrosine kinase inhibitor (TKI) that is used to treat chronic myeloid leukemiaand in the management of ulcerative colitis (UC) and to provide appropriate results in treatment. Dasatinib is significantly higher and faster than full cytogenetic and large molecular responses as compared to imatinib. In the recent study, using the NMR data, thermochemical properties of the dasa...

1996
Edward C. Sherer Gordon M. Turner Tricia N. Lively Donald W. Landry

Semiempirical molecular orbital calculations have been performed for the first step in the alkaline hydrolysis of the neutral benzoylester of cocaine. Successes, failures, and limitations of these calculations are reviewed. A PM3 calculated transition state structure is compared with the PM3 calculated structure for the hapten used to induce catalytic antibodies for the hydrolysis of cocaine. I...

Journal: :CoRR 2015
Rodrigo Picos Juan Bautista Roldan Mohamed Moner Al Chawa Pedro García Fernández Francisco Jimenez-Molinos Eugeni García-Moreno

We have measured the transition process from the high to low resistivity states, i.e., the reset process of resistive switching based memristors based on Ni/HfO2/Sin+ structures, and have also developed an analytical model for their electrical characteristics. When the characteristic curves are plotted in the current-voltage (I-V) domain a high variability is observed. In spite of that, when th...

1999
T. Ryabchikova

The electron-impact widths and shifts for six Eu ii lines and widths for three La ii, and six La iii multiplets have been calculated by using the modified semiempirical method. Estimation for Stark widths of 664.506 nm (Eu ii) and 666.634 nm (Eu iii) lines are given as well. The influence of the electron-impact mechanism on line shapes and equivalent widths in hot star atmospheres has been cons...

2013
Z. B. Maksić

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

2012
Z. B. Maksic

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

2004
M. Veselský D. D. Bogdanov A. N. Andreyev V. I. Chepigin A. P. Kabachenko O. N. Malyshev J. Roháč R. N. Sagaidak Š. Šáro G. M. Ter - Akopian A. G. Popeko A. V. Yeremin

Production cross sections and excitation functions of neutron deficient isotopes of U, Pa and Th have been measured in the reaction of 22 N e+ 208 P b. The comparison of experimental production cross sections of uranium isotopes with the neutron number 126 ≤ N ≤ 134 to the values calculated using statistical model of nuclear deexcitation has been carried out. There is shown, that none of the co...

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