... 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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• Using spherical functions (from A.Granovsky manual) ERG Research Group:
• Firefly ERG Research Group: Лаборатория теоретической биофизики
• pymol ERG Research Group: Лаборатория теоретической биофизики

... Apache HTTP Server Version 2.0 . Apache > HTTP Server > Documentation > Version 2.0 > Developer Documentation . ... In general, a hook function is one that Apache will call at some point during the processing of a request. ... Use the AP_DECLARE_HOOK macro, which needs to be given the return type of the hook function, the name of the hook, and the arguments. For example, if the hook returns an int and takes a request_rec * and an int and is called do_something , then declare it like this: . ...

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• SSL/TLS Strong Encryption: Compatibility - Apache HTTP Server
• MySQL Reference Manual for version 3.23.10-alpha. - SQL command, type and

... Apache HTTP Server Version 2.0 . Apache > HTTP Server > Documentation > Version 2.0 > Developer Documentation . ... In general, a hook function is one that Apache will call at some point during the processing of a request. ... Use the AP_DECLARE_HOOK macro, which needs to be given the return type of the hook function, the name of the hook, and the arguments. For example, if the hook returns an int and takes a request_rec * and an int and is called do_something , then declare it like this: . ...

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• LecturesVMSH/06_Structures_Functions - UNИX
• SSL/TLS Strong Encryption: Compatibility - Apache HTTP Server
• Index of /static/AltDocs_informatika2/Book2/ch_08_math/02_maxima/04_function

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 . ... see also 'Thermodynamic functions' . ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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• Поиск книг, содержащих Функция тока (stream function) :: Электронная библиотека
• Hayman W.K. - Multivalent Functions :: Электронная библиотека попечительского
• Virchenko N. - Generalized Associated Legendre Functions and Their Applications

... MCAL_SATURDAY For recurrence : . ... mcal_event_set_category -- Sets the category of the streams global event structure . ... mcal_event_set_recur_none -- Sets the recurrence of the streams global event structure . mcal_event_set_recur_daily -- Sets the recurrence of the streams global event structure . mcal_event_set_recur_weekly -- Sets the recurrence of the streams global event structure . mcal_event_set_recur_monthly_mday -- Sets the recurrence of the streams global event structure . ...

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• Function Handling functions
• Direct IO functions
• DB++ Functions

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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• CTEQ4m distribution functions
• Distribution functions and beam spectra
• Phase space functions

... Другие названия журнала: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS , Proteins: Structure, Function, and Bioinformatics . ... Khrenova Maria G. , Grigorenko Bella L. , Mironov Vladimir A. , Nemukhin Alexander V. в журнале Proteins: Structure, Function and Bioinformatics , том 83, ? ... Glyakina A.V. , Likhachev I.V. , Balabaev N.K. , Galzitskaya O.V. в журнале Proteins: Structure, Function and Bioinformatics , том 82, ? ... в журнале Proteins: Structure, Function and Bioinformatics , том 78, ? ...

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• Cell Biochemistry and Function - журнал | ИСТИНА - Интеллектуальная Система
• Integral Transforms and Special Functions - журнал | ИСТИНА - Интеллектуальная
• Proteins: Structure, Function and Genetics - журнал | ИСТИНА - Интеллектуальная

The QTime class provides time functions 24 hours a day. ... QTime  ( int h, int m, int s=0, int ms=0 )  . bool  isNull  () const . ... Returns TRUE if the time is equal to 00:00:00.000. ... Returns TRUE if the time is valid, or FALSE if the time is invalid. ... Example: QTime::isValid (21, 10, 30); // returns TRUE QTime::isValid (22, 5, 62); // returns FALSE . ... Returns the number of milliseconds between this time and t. Returns TRUE if this time is different from t, or FALSE if they are equal. ...

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• Qt Toolkit - QCursor Class
• Qt Toolkit - QDate Class
• Qt Toolkit - QPoint Class

... Parent Directory / . Directory . ... 2007-Apr-29 22:51:29 . ... application/octet-stream . ... 2007-May-15 06:38:44 . ... application/x-gzip . ... application/x-bzip . ...

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• Index of /pub/gentoo-portage/sys-apps/gentoo-functions/
• Index of /pub/gentoo-portage/dev-haskell/math-functions/

... Supercomputing Technologies in Science, Education and Industry Almanac Series . ... Octotron: Active Control for Reliable Functioning of Supercomputers . ... Detection of all damage/failure sources which may occur within supercomputer or data center; . ... Key feature of the Octotron system is representing the supercomputer functioning model in the form of expanded multi-graph. ... Research Computing Center (RCC) of Lomonosov Moscow State University . ... Excursions to Supercomputing Center . ...

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• APPLICATIONS: Plasma Physics | Moscow University Supercomputing Center
• APPLICATIONS: Inorganic Chemistry | Moscow University Supercomputing Center

... This information is needed for description of interaction of atom and ion with charge particles and photons. ... The project calculations are based on variational method and wave function expansion in a linear combination of hydrogen - like functions with effective charges. wave function of atoms, wave function of ions, cross section calculations, helium-like, variational method, Hartree - Fock, excited states, ionization, single excitation, double ionization, double excitation . ...

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• Wave Function Value Database
• Wave function of atoms and ions
• Wave function of hekium-like ions

... The previous example, Chapter 12, "Expanding Colored Squares Example," illustrates how to expand and contract the clipping region of a layer without changing the wrapping width of the layer. This example illustrates how to capture mouse events so that the user can make a layer's wrapping width wider or narrower by dragging the mouse. ... how to capture mouse events for a layer . how to change the wrapping width of a layer by using the load() function . ... Capturing Events for the Layer . ...

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• Recursion
• Wavelets and Green's functions
• Program units

... The role of intrinsically disordered regions in the structure and functioning of small heat shock proteins. ... Curr Protein Pept Sci. ... Small heat shock proteins (sHsp) form a large ubiquitous family of proteins expressed in all phyla of living organisms. ... Thus, disordered N- and C-terminal sequences play important role in the structure, regulation and functioning of sHsp. ...

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• Structure, properties, and functions of the human small heat-shock protein
• The excitotoxic effect of NMDA on human lymphocyte immune function.
• In Vitro Demonstration of Dual Light-Driven Na(+)/H(+) Pumping by a Microbial

The M.V. Lomonosov Moscow State University is organizing a traditional International Conference "BIOCATALYSIS-2007" in 17-22 June 2007 (preliminary dates were changed). ... Structure, catalytic mechanism and protein engineering of enzymes. ... EURO . ... In view of a limited number of ship cabin passengers, the Organizing Committee is asking to apply for participation at BIOCATALYSIS-2007 Conference, to send the Abstracts and to pay the Registration Fee not later than the deadlines indicated above. ...

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... The lib/TWiki/Func.pm implements ALL official Plugin functions. Plugins should ONLY use functions published in this module. The TWikiFuncModule ( lib/TWiki/Func.pm ) implements ALL official Plugin functions. ... For best performance, enable only the functions you really need. ... In addition to TWiki core functions, Plugins can use predefined hooks , or call backs , listed in the lib/TWiki/Plugins/EmptyPlugin.pm module. ... To enable a call back, remove DISABLE_ from the function name. ...

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• %TOPICTITLE% (20 vs. 21) - TWiki
• BehaviourContrib - TWiki - TWiki - (printable)
• %TOPICTITLE% (11 vs. 12) - TWiki

Computing first-order zeros of analytic functions with large values of derivatives" . Protopopov V.V. There are some practically important types of complex analytic functions whose zeros are narrowly surrounded by large function values. ... Computation of deep zeros presents difficulty for commonly used methods because of large values of function derivatives. An efficient algorithm for computing deep zeros is proposed on the basis of contour integration of the function argument. ...

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• "Computing quasi-differentials and exhausters by function values"
• "A combined method of regularization and descent along a primal gap function
• Problems of search for collisions of cryptographic hash functions of the MD

Differential Equations in Banach Spaces II. Theory of Cosine Operator Functions. V. Vasiliev and S. Piskarev . ... The main object of study in this part are second-order differential equation that are presented very little in Russian literature since now. ... At the same time, the theory of cosine operator-valued functions considerably differs from the operator semigroup theory. ...

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• Kazakevich, Olga [Казакевич О.А.]. Language functioning and language changes in
• Gol'dman N.L. Uniqueness of determination of a source function in a quasilinear
• Laikov, D. N. Intrinsic minimal atomic basis representation of molecular

... Полная версия этой страницы: Hayman, W. K., Subharmonic functions. Vol. ... Студенческий форум Физфака МГУ > Наука физика > Есть проблема . ... Hayman, W. K. Subharmonic functions. ... London Mathematical Society Monographs, 20. Academic Press, Inc. Harcourt Brace Jovanovich, Publishers], London, 1989. pp. i--xxvi and 285--875. ... Русская версия IP.Board 2001-2016 IPS, Inc. ...

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• Hayman, W. K., Subharmonic functions. Vol. 2. - Студенческий форум Физфака МГУ

. This section provides you with information about several functions which can be used within a Bourne shell script. Doing arithmetic . Including text in a shell script . Forcing evaluation of commands . Execute a command without creating a new process . Controlling when to exit a shell script . Trapping operating system signals .

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SPHERICAL BASIS SETS IN PC GAMESS/Firefly Starting from the version 6.5 RC9, the full support of pure spherical basis sets has been implemented in the PC GAMESS. The related keywords are: $contrl d5=.false.(default)/.true. $end and $d5 d5=.true.(default)/.false. f7=.true.(default)/.false. g9=.true.(default)/.false. $end If d5 flag is set to .true. in the $contrl group, the contents of the related $d5 input group is read in and parsed. ...

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• PC GAMESS benchmarks and scalability on Tigerton system (four quad-core Intel