... Among the methods of theoretical investigation of coordination compounds, molecular mechanics seems to be an optimal choice. However, conventional MM force fields typically do lack metal-related force field parameters. ... Let us calculate (MM) energy gradient for experimental structures using purely organic force field with no metal-dependent terms. ... In other words, thus calculated forces give an "imprint" for the derivation of metal-dependent forces. ...

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• Molecular Structure and Physicochemical Properties of Acetone-Chloroform...
• Molecular Structure and Conformations of Bicyclopentyl, C5H9-C5H9, as Studied
• The Molecular Structure of 2-Chloroacrolein Studied by Gas Electron

Электронная библиотека . ... Главная Ex Libris Книги Журналы Статьи Серии Каталог Wanted Загрузка ХудЛит Справка Поиск по индексам Поиск . ... Поиск по указателям . Результат поиска . Книга . Страницы для поиска . ... Agrachev A.A., Sachkov Yu.L. - Control theory from the geometric viewpoint . ... Gonzalez-Miranda J.M. - Synchronization and Control of Chaos: An Introduction for Scientists and Engineers . ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Поиск книг, содержащих Order parameter :: Электронная библиотека
• Kleiber M. - Parameter Sensitivity in Nonlinear Mechanics :: Электронная
• Smith R.C., Demetriou M.A. - Research Directions in Distributed Parameter

... Structure of Data . ... Catalog . ... Catalog: 206 clusters 32 clusters: known before 12 clusters: parameters from BVRI photometry @ SAO 1-m 0 clusters: parameters from UBVRI photometry @ Maidanak 1.5-m 26 clusters: parameters from 2MASS 168 clusters: new (2MASS) 142 clusters: parameters from 2MASS 26 clusters: embedded 0 clusters: parameters from BVRI photometry @ SAO 1-m 3 clusters: parameters from UBVI photometry @ ARIES 1.04-m 0 clusters: parameters from UBVRI photometry @ Maidanak 1.5-m . ...

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• SAI Open Star Clusters (SAI OCL) Catalog

... Applications of Molecular Mechanics to Metal Complexes" . ... Molecular mechanics study of the mixed-ligand lanthanide complexes using Gillespie-Kepert model . ... Within MM-GK, the same parameters are applicable to complexes of different coordination numbers/polyhedra. ... Gillespie-Kepert model . ... Using derived computational parameters, we calculated the geometry of 39 lanthanide ion nonaaqua complexes, 6 octaaqua complexes and 18 beta- diketonate and aqua-beta-diketonate complexes. ...

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The MRS group also presents several sets of proton structure functions. ... They are MRS ( ) and MRS ( ) [ MRS-1995 ]. In the case it is supposed that the sea quark and gluon densities are parameterized at small by the function where is the same for the gluon and for the sea quarks. ... The next-to-leading order evaluation and the factorization scheme are used for evaluation of the dependence of structure function. in the [ ] case, correspondingly. ... See complete explanation in [ MRS-1995 ]. ...

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• Structure of LanHEP input file
• General structure
• Fortran case

... A new method is proposed that makes it possible to determine the parameters of the three-dimensional (3D) multiwell potential of off-center atoms from extended X-ray absorption fine-structure (EXAFS) data. ... The parameters of the multiwell potential for Ge atoms in the Sn 1-x Ge x Te solid solution as functions of temperature and composition (77<T<300 K, x>0.4) were obtained in the classical approximation. ...

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• New methods of measuring photoelectric parameters of silicon
• Local field and optical second harmonics generation in polar Langmuir-Blodgett

... Online Services | ... Construct your query and output by sequental openings of needed fields. One output field must be selected (not be blank) at least. ... Query parameters: . Select for output . ... Energy (keV) . ... Y D H M S MS US NS PS FS AS EV KEV MEV or Stable . ... Energy of the ?-ray (keV) . ... Energy parameters of nucleus (B , Alpha energy, N, P separation energy) . ... Neutron separation energy (keV) . Proton separation energy (keV) . ... Excited energy(keV) . ...

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• CDFE => Online Services => Nucleus Ground State Parameters
• CDFE => Online services => Chart of nucleus shape and size parameters
• CDFE => Online Services => Calculator and Graph Engine for Atomic Nuclei

Low-frequency approximation and the choice of optimal elastic parameters for two-layer blast protection jackets" . Tikhonravov A.V., Trubetskov M.K., Winfree N.A., Kang J.H. Low-frequency approximation of elastic wave transmittance for two-layer structures is proposed. An accuracy of the approximation in a range up to several kilohertz is studied. Based on this approximation, the problem of the optimal elastic parameter choice for two-layer blast protection jackets is considered. ...

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• "Nonuniqueness of shockwave structures in real gases: the Mach and/or regular
• "An algorithm of assigning the force parameters to atoms of organic molecules
• "Influence of genetic algorithm parameters on the docking efficiency with the

... MPI_Cartdim_get . ... All MPI routines in Fortran (except for MPI_WTIME and MPI_WTICK ) have an additional argument ierr at the end of the argument list. ierr is an integer and has the same meaning as the return value of the routine in C. In Fortran, MPI routines are subroutines, and are invoked with the call statement. ... All MPI routines (except MPI_Wtime and MPI_Wtick ) return an error value; C routines as the value of the function and Fortran routines in the last argument. ... Центры . ...

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• MPI_Graph_map | PARALLEL.RU - Информационно-аналитический центр по параллельным
• MPI_Graph_get | PARALLEL.RU - Информационно-аналитический центр по параллельным
• MPI_Type_struct | PARALLEL.RU - Информационно-аналитический центр по

... The Influence of Microstructure of Media on Nonlinear Acoustic Parameter of Solutions . ... The acoustic nonlinear parameter B/A is strongly structure sensitive as it was shown in [Lesnyanskii et al. ... The values of parameters (Ye/Yid and derivative Ye with respect to pressure) are calculated from offered method [Balankina E.S. Proceeding of XI Session of the Russian Acoustic Society, Moscow, 2001 (http://www.akin.ru/RAO/sess11)] using volumetric-elastic properties of solutions. ...

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• Abstract (Invited)
• Schedule : Nonlinearity of Media and Structures, Nonlinear Testing
• AUTHOR : Yost W

Выберите категорию обращения: Общие вопросы Отчеты Рейтинги Диссертационные советы Конкурсы Ввод данных Структура организаций Пользователи Проблемы с регистрацией\входом в систему . ... Войти в систему . ... Vishnevskiy Yury V. , Tikhonov Denis . ... Vogt N. , Vishnevskiy Y.V. , Ivanov A.A. , Vogt J., Vilkov L.V. в журнале Russ. ... Dorofeeva O.V. , Vishnevskiy Y.V. , Moiseeva N.F. в журнале Structural Chemistry , издательство Springer-Verlag (Heidelberg, Germany) , том 17, ? ...

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• KRAVCHENKO EA - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Sheftel' E.N. - сотрудник | ИСТИНА - Интеллектуальная Система Тематического
• Journal of Molecular Structure - журнал | ИСТИНА - Интеллектуальная Система

... This form lets you to produce a list of hydrophobic clusters in a PDB file specified by user. Enter a 4-letter PDB code, e.g.: 1apl : . Search clusters: . ... between chains . Contacts between chains . Set #1 . ... Enter your e-mail here (optional): . ... List of atoms Strict Wide . Chains filter (1-20:A) . Show clusters not smaller than atoms . User data file in PDB format . ...

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Next: Transparency of the Stochastic Up: Model of the Galaxy Previous: Frequency distribution of galactic . ... The parameters of the model resulted from a numerical fitting of various data, such as the observed distribution of the young star population and neutral hydrogen, the density of population II stars in the vicinity of the Sun, the galactic rotation curve and the dynamics and distribution of globular clusters ? and dwarf irregular satellites of the Galaxy. ...

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• Initial parameters of compact stars
• Other parameters of the evolutionary scenario
• The Gravimagnetic Parameter

log . ... Sat, 26 Mar 2011 02:18:36 +0300 . boris (kodomo) . ... Daniil Alexeyevsky . ... Typo in allpy.fileio.write_strings . ... Fri, 25 Mar 2011 23:12:21 +0300 . ... Automated merge with ssh://kodomo/allpy . Thu, 17 Mar 2011 17:48:37 +0300 . ... Wed, 16 Mar 2011 22:50:50 +0300 . ... Mon, 28 Feb 2011 22:40:16 +0300 . ... allpy.processors: make temporary files named . Tue, 01 Mar 2011 00:17:13 +0300 . boris . ... Updated allpy/data/codes.py from fresh components.cif . ...

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• allpy: 8a81996f8bda
• allpy: allpy/config.py history

... 3.0.8 - 3.0.18 only, PHP 4 >= 4.0.0) xml_parse_into_struct -- Parse XML data into an array structure . ... php class AminoAcid { var $ name ; // aa name var $ symbol ; // three letter symbol var $ code ; // one letter code var $ type ; // hydrophobic, charged or neutral function AminoAcid ($aa) { foreach ($aa as $k= $v) $this- $k = $aa[$k]; } } function readDatabase($filename) { // read the xml database of aminoacids $data = implode( ,file($filename)); $parser = xml _parser_create(...

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• imap_fetchstructure
• Dealing with a Variable Number of Arguments/Optional Parameters
• Assuring Write Safety for Other Parameters

... Received 15 April 2004 Accepted 21 April 2004 Online 30 April 2004 Dmitry V. Albov ,* Victor B. Rybakov, Eugene V. Babaev and Leonid A. Aslanov Department of Chemistry, Moscow State University, 119992 Moscow, Russian Federation Correspondence e-mail: albov @biocryst.phys.msu.su Comment In the course of our systematic study of the size effect of cycloalkane fragments on the reactivity of pyridine-based heterocycles ( Albov , Rybakov, Babaev ... 2004). ... Farrugia, L. J. (1997). ......

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• http://www.chem.msu.ru/eng/misc/babaev/papers/090e.pdf
• http://www.chem.msu.ru/eng/misc/babaev/papers/093e.pdf
• http://www.chem.msu.ru/eng/misc/babaev/papers/105e.pdf

THE PHOTOMETRIC RESEARCHS OF THE MERCURY'S SURFACE BY MEANS OF DIGITAL MODELS. ... The surface brightness of Mercury was measured Danjon (1933, 1949, 1953) and Harris (1961) in phase angle 3o-123o. The analysis of the various data of the integral photometric gives the results of determination of the main photometric constants for Mercury. ... THE PHOTOMETRIC RESEARCHS OF THE MERCURY'S SURFACE: S.G. Pugacheva The surface brightness of the Mercurian images was established on the geologic map Mercury. ...

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• Svetlana G. Pugacheva

... If there's no significant multiple alignment , including the sequence, that you interest, then the secondary structure is built, using only the energy model (just the potential energy of the system is minimized), but very often such method will give unreliable results. ... It should be mentioned that by default, at alignment case, the RNA secondary structure will be predicted for the first sequence of the alignment. ... It is done through optimizing, not the real, but model energy of the structure. ...

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• Screening protein sequence against PROSITE databank
• Screening of pattern or alignment against PROTEIN databank

... The RADEN data bank produced at the Department of Chemistry of Moscow State University is designed as well to accumulate published information on radiative parameters of diatomic molecules, as to analyse it and recommend the more reliable values. ... electronic transition moments D ( R ); . ... dipole moments, . ... FACTUAL RECOMMENDED DATABASE contains now the ab initio and experimental electronic transition moments for more than 250 band systems which belong to more than 100 diatomic molecules. ...

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• Liana N. Sviridova:CV

... PROJECT 01-0172 . Dynamic processes in amorphous glassy polymers and their effect on gas transport: theoretical, experimental and simulation studies . ... The main goal of this Project is to study a influence of chemical structure of the polymer unit on the gas transport parameters by the methods of the conformational analysis , method Monte Carlo and molecular-dynamic method. ... Theoretical and simulation methods will be used for study of gas transport of glassy polymers . ...

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