... Algorithm & . Format requirements . ... SDPsite is a tool for identification of protein active and other functional sites, based on spatial clustering of SDPs (specificity-determining positions, described here ) with CPs (conserved positions). ... Mapping predictied positions onto structure and construction of the best cluster . ... The input data of the algorithm are a multiple protein alignment divided into specificity groups . ... is called statistical significance of the set of k* positions . ...

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... 3,3-Dimethyl-1,2-bis(trimethylgermyl)cyclopropene was synthesised using standard methods and its Raman and IR spectra were measured in the liquid phase. ... The ab initio theoretical force field was corrected using Pulay's scaling technique by scale factors transferred from 3,3-dimethylbutene-1 and the 1-methyl-, 1,2-dimethyl-, and 3,3-dimethylcyclopropenes (17 scale factors for 105-dimensional problem). The scaled quantum-mechanical force field obtained was used to solve vibrational problem. ...

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• Kutsenok Ilya Borisovich
• Moscow University Chemistry Bulletin Vol. 52, No. 2, P. 83 (2011)
• Experimental measurements and group additivity approach for estimating the

... A distinctive feature of these rocks is the presence of large (up to few mm) low-Ca pyroxene oikocrysts (hereafter Opx) enclosing olivine (Ol) and chromite (Chr). ... Ol in ALH is almost uniform in composition (Fo70-73) [2-4], whereas olivines in LEW are more iron-rich ranging from Fo64 to Fo70 [1,4]. Pyroxene compositions display similar relations. ... Calculating phase equilibria for SNC harzburgites. ... An alternative approach includes mineral-melt equilibria. the use of chromite core Table. ...

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• COMAGMAT MODEL

... PyMol is a powerful drawing instrument and here we show how to plot Fukui function with PyMOL after two calculation steps with FireFly (PC-GAMESS). ... Because total HOMO orbital have two electrons and should be divided by two (see equations at the beginning). 1 комментарий " Building and plotting Fukui function with FireFly and PyMol " . Quantum chemistry information page ERG Research Group: Лаборатория теоретической биофизики написал (Май 20th, 2015 12:43 пп) . ... 2014 ERG Research Group . ...

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... 333, P L71-L74 (1998). Article in PDF (240 KB) | ... 333, P L75-L78 (1998). ... 333, P L79-L82 (1998). ... 333, P L83-L86 (1998). ... 333, P L87-L90 (1998). ... 333, P L91-L94 (1998). ... 333, P 767-778 (1998). ... 333, P 779-789 (1998). ... 333, P 790-794 (1998). ... 333, P 795-802 (1998). ... 333, P 803-808 (1998). ... 333, P 809-812 (1998). ... 333, P 813-826 (1998). ... 333, P 827-840 (1998). ... 333, P 841-863 (1998). ... 333, P 864-876 (1998). ... helpdesk@link.springer.de ...

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• Long description of example of cell background calculation
• Long description of example illustrating background calculation
• Long description of example illustrating table row height calculations and

... NatEdit is implemented as a jquery plugin, called jquery.natedit , and thus heavily depends on javascript. ... To enable the NatEditContrib add the identifier natedit to the SKIN variable in TWikiPreferences or WebPreferences , e.g. * Set SKIN = natedit,pattern . ... 29 Apr 2008 . ... made all button output configurable; standardized their defaults; fixed javascript in preview mode; added support for TWiki:Plugins/RevCommentPlugin ; added monospace button; reworked some of the icons . ...

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• %TOPICTITLE% (1 vs. 2) - TWiki

extra:main ]] . CompHEP . ... Script for including cuts, kinematics, or regularizations into batch.dat file . Script for CompHep cross-sections energy dependence calculation . ... When you done CompHep calculations for the process under study at one energy, you may easely get cross-sections energy dependence running script cs_energy_dep.pl . ... For every energy point the script modifies results/batch.dat file and runs CompHep script num_batch.pl to calculate given process cross-sections. ...

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• overview [CompHEP]
• faq [CompHEP]

... Molecular Mechanics Calculations of beta-Diketonate, Aqua, And Aqua-beta-Diketonate Complexes of Lanthanide Ions Using Gillespie-Kepert Model . ... Abstract - A version of molecular mechanics based on the Gillespie-Kepert model of coordination bonds "repulsion" is applied to lanthanide complexes. ... For the aqua complexes, typical root-mean-square deviation (calculated vs. ...

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• Molecular mechanics study of the mixed-ligand lanthanide complexes using
• Study of amino- and pyridyl-containing zinc(II) and cadmium(II) complexes by

... About lab . ... Online Journal "Computer graphics and multimedia" (in russian) . ... Algorithms for calculating parameters of virtual scenes in computer vision tasks . ...

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• Road monitoring | Graphics and Media Lab
• Smart brightness and contrast correction | Лаборатория компьютерной графики и
• Smart brightness and contrast correction | Graphics and Media Lab

... M.S. Badawi, M.M. Gouda, A.M. el-Khatib, S.S. Nafee and E.A. el-Mallah Physics Department, Faculty of Science, Alexandria University, 21511 Alexandria, Egypt HPGe semiconductor detectors are very useful for radioactivity measurement and to calculate the absolute activity, the full energy peak efficiency of the detector is needed. ... The detector efficiency for various geometrical conditions is derived from the known efficiency for reference source -detector geometry. ... Phys.Rev. A,1992, 1183. ...

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• http://danp.sinp.msu.ru/LIIWM/PhysRevA56_1997_2848NMKab.pdf
• http://danp.sinp.msu.ru/Articles_GSIB/nimb206_842_Yamada_GCIB_modellingSmoothing.pdf
• http://danp.sinp.msu.ru/LAS/Teplova05.pdf

TES data processing aims to divide the total field into components and to cancel these, caused by geological noise. The interpretation is fulfilled firstly in 1D variant (in the frame of horizontally-layered model, with IPI-1D package), and then in 2D variant (with IE2DL package). ... This model can be corrected with the help of different transformations for better seeing position and form of the deep objects. ... Two different approaches to the interpretation of profile VES data are possible. ...

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• TRF_2d. Page2
• Anis. Page2
• TES. Modeling example.

... Second Harmonic Field of Nonuniformly Vibrating Transducer . ... The second harmonic field can be calculated if the normal velocity distribution (NVD) along a vibrating surface is known. ... The novel recently developed method for accurate evaluation of the NVD along the vibrating surface of a piezoceramic transducer in liquid is presented here. ... The second harmonic field then is simulated based on both the reconstructed NVD and the uniform distribution. ...

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... Given package is a set of special commands and their handler - JOB program. The command aimed for description of often performed operations with files of PC-GAMESS program (dat, out, pun). ... Commands allow running calculation, performing other programs, data change between files and modification of files. ... Command inserts specified group in file.inp. ... del_g h2o.dat |Command deletes all repetition of| |$basis |specified group in file.inp. ... Command changes contents of group on specified | ...

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• PC GAMESS/Firefly DOCUMENTATION - TDHF
• PC GAMESS/Firefly DOCUMENTATION - Density Functional Theory
• PC GAMESS/Firefly DOCUMENTATION - P2P communication interface; dynamic load

... Applied Geochemistry , 1999, 14 (2): 95-107. Potential response of forest soils to sulphur deposition in the Norwegian-Russian border area in the surroundings of the Pechenganikel smelters, the major sulphur emitters in the northern Europe, has been assessed with the PROFILE model. The release rate of base cations due to weathering range from 0.05 to 0.28 kmolc/ha/yr in the 0 - 50 cm soil layer, thus demonstrating the high sensitivity of the coarse and thin podzols studied. ...

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... ASTRONOMICAL EVIDENCE CONCERNING NON-GRAVITATIONAL FORCES IN THE EARTH-MOON SYSTEM* . ... Evidence that does not involve any assumptions about the present values shows strongly that there was a 'square wave' in the accelerations that lasted from about 700-1300, and that the accelerations were different by a factor of perhaps 5 during the time of this wave from what they were at neighboring times. ... Existing theories of tidal friction are quite inadequate. ... Osculating and Average Accelerations ....

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• R. R. Newton, "Two uses of ancient astronomy"
• njudge.htm
• Замечание Михаила Городецкого

ДД PROCEEDINGS OF THE 31st ICRC, LODZ 2009 1 Preliminary Proton and Helium Spectra from the CREAM-III Flight Y. S. Yoon , H. S. Ahn , T. Anderson, L. Barbier?, ... Keywords: CREAM; energy spectra; protons and helium nuclei I . ... CREAM-III I N S T RU M E N T A N D F LIGHT The CREAM-III instrument consisted of a tungsten/scintillating fiber calorimeter, a dual layer Silicon Charge Detector (SCD), a Cherenkov Camera (CherCam), a Cherenkov Detector, and a Timing Charge Detector (TCD). ...

17. http://acat02.sinp.msu.ru/poster-sessions.html

18. http://curl.sai.msu.ru/mass/download/doc/dimm_specs.pdf

19. http://temporology.bio.msu.ru/EREPORTS/igamberdiev_quantum.pdf

20. http://dynamo.geol.msu.ru/personal/vsz/papers/Zakharov_Simonov_2010_eng.pdf