... An approach to the hybrid quantum mechanical and molecular mechanical (QM/MM) theory based on the effective fragment potential (EFP) technique (M. Gordon and co-authors) for modeling properties and reactivity of large molecular systems of biochemical significance is being developed. Currently we are preparing a novel version of the computer program based on the most recent variant of the PC GAMESS quantum chemistry package (A. A. Granovsky) and the TINKER molecular modeling package (J. Ponder). ...

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• History

HOW DOES CRYSTAL CHEMISTRY PREDICT STRUCTURE AND PROPERTIES OF CRYSTALS V. S. URUSOV Crystal chemistry has created a set of methods and procedures to predict structure and properties of crystals. ... З. л. мкмлйЗ еУТНУ,ТНЛИ ,,УТЫ ТЪ,ВММњИ ЫМЛ,В ТЛЪВЪ ЛП. е.З. гУПУМУТУ, ї м ЫТУ, З.л., 1997 . ... мкмлйЗ З.л. дДд дкалнДггйпаеаь икЦСлдДбхЗДЦн лнкмднмкм.. ... 1 мкмлйЗ З.л. дДд дкалнДггйпаеаь икЦСлдДбхЗДЦн лнкмднмкм а лЗйвлнЗД дкалнДггйЗ 43 . ... Ti4+ 2 -, 1 : 2 , . 2 --2 - Ti4+-Ti4+) , (2 --Ti4+). ...

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. Название публикации . Mechanical properties of human soleus fibers after 7-day dry immersion. Effects of plantar support stimulation and high frequency electrical stimulation . Авторы . I.V. Ogneva, E.V. Ponomareva, E.G. Altaeva, N.M. Fokina, V.A. Kurushin, I.B. Kozlovskaya, B.S. Shenkman . Дата . 31.12.2009 23:00:00 . Название журнала . Acta Astronautica. Купить нет на складе . 2009 ФФМ МГУ, 2009

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... 12 September 2007; accepted 31 January 2008; published online 24 March 2008 In this report, the nonlinearities are analyzed in fcc -to- bcc fcc / bcc population ratio, lattice fcc fcc bcc bcc parameters aexp / aideal and aexp / aideal and saturation magnetization Iobs / Ia of the electrodeposited S S thin Co­Fe­Ni films as a function of average number of electrons in the ... The dashed line is the line of the equal population of the fcc and bcc phases. ...

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... Arrays are handled somewhat awkwardly in CORBA. ... If the array element is a string or an object reference, then the mapping uses the same type as for structure members. ... Besides the Array_forany mapping the CORBA standard also describes a mapping for an array slice . ... Output parameters and results are handled via pointers to array slices. ... SS_slice* bar( const SS ss1, SS ss2, SS_slice*& ss3, long_arr arr ) { //... ss3 = SS_alloc(); SS_slice *res = SS_alloc(); return res; }; }; . ...

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• Qt Toolkit - QSignal Class
• Qt Toolkit - QMouseEvent Class
• Qt Toolkit - QKeyEvent Class

... Recommended values . Start word length . Start length of motiff for Multiple sequence alignment. ... Max N Mismatches . ... Min score . ... Gap parameter . This parameter defines gap scoring. the grater this value is the stronger gap will be panalysed . ... If inforation content of a column is less than given value the column should be not included into alignment. the grater this value is the stronger gap will be panalysed . ... Max loop . Max energy of a helix . ... cgcatagctc cacca . ...

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• SDPsite - Algorithm Format requirements
• input

... We have studied the influence of the N-terminal cluster of hydrophobic aminoacid residues on biological activity of Ltc2a. The deletion of four N-terminal residues one by one resulted in a gradual decrease in haemolytic activity and bactericidal effect against Staphylococcus aureus , whereas activity against Gram-negative bacteria was affected weakly. ... The truncation leads to a decrease in binding affinity at zwitterionic membranes that correlates strongly with a decrease in haemolytic activity. ...

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... Laboratory of Medicinal Chemistry was established at the Department of Chemistry, Lomonosov Moscow State University in October 2013. ... We apply modern molecular modeling and chemoinformatics methods as well as develop new approaches. ... We have developed efficient methods for the analysis of quantitative structure-activity relationships and design of novel promising structures based on diverse theoretical approaches. ... Home . ... Research . ... 2016 Laboratory of Medicinal Chemistry ...

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• Research - Laboratory of Medicinal Chemistry
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The main task of the multimedia lectures "Life of the Earth in the Solar Atmosphere" is to introduce wide range of users to the basic physical characteristics of the Earth, the near-Earth space and the Sun, which mainly forms the properties of the mentioned objects and is responsible for their variations (so-called "space weather"). ... Middle atmosphere of the Earth. ... Radiowaves' passing and spreading in the Earth atmosphere. ... Space radiation passing through the Earth atmosphere. ...

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... Morozov I.V. «Transition Metal Nitrate Complexes: synthesis, crystal structure, properties», 2010. ... Alyoshin A.V. « S ynthesis of nonstoichiometric mercury compounds », 2010 . ... Alexei N. Kuznetsov , “Homo- and heterometallic bonds based on Group 13-15 metals in the crystal ctructures of inorganic compounds of various dimensionality”. ... Synthesis , structure and properties of superconductors based on iron arsenides and selenides with alkali metals ». ... Supervised by Prof. A.V. Shevelkov . ...

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• I n o r g a n i c C h e m i s
• Joint Semiconductors Surface Study group
• Prof. Dolgikh group. Department of Chemistry, MSU

... Querying File Parameters . Up: File Manipulation Next: File Info Previous: Querying the Size of a File . MPI_FILE_GET_GROUP(fh, group) . ... OUT group] group which opened the file (handle) . int MPI_File_get_group(MPI_File fh, MPI_Group *group) . MPI_FILE_GET_GROUP(FH, GROUP, IERROR) . ... MPI::Group MPI::File::Get_group() const . MPI_FILE_GET_GROUP returns a duplicate of the group of the communicator used to open the file associated with fh. ... MPI_FILE_GET_AMODE(fh, amode) . ...

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• MPI_Comm_split | PARALLEL.RU - Информационно-аналитический центр по
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Preliminary results of astroclimate parameters measurements at the Sternberg 2.5m telescope installation site V.Kornilov, N.Shatsky, S.Potanin, O.Voziakova, B.Safonov Moscow, 2008 Acknowledgements A.Belinskiy M.Kornilov A.Tokovinin M.Kuznetsov P.Kortunov E.Gorbovskoy SAI administration some SAI students Pulkovo solar station (KHSS) staff RFBR support MAVEG Gmbh Why to study optical turbulence and some other relevant ... Mean seeing by DIMM data for this night is 1''5. ...

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Databases (NSDC) of the Natural Planetary Satellites. ... NSDC: Database of astrometric observations of Natural Planetary Satellites . ... They are thoroughly looking for observations in different sources, creating their owndatabases which are then mostly inaccessible to other researchers. ... In the file "content" with explications, the reference is given to the data source as well as the bibliographic reference. ... Data sources. ... Why a specific bibliographic database for Natural satellites? ...

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• IMCCE-SAI: Natural Satellites Data Center (NSDC). Parameters
• IMCCE-SAI: Natural Satellites Service. Parameters and constants
• The determination of parameters of the gravity anomalies sources

... K. Potzger, "Ion beam based doping and defects for tailoring magnetic properties", PNI workshop "Magnetism and highly correlated electron systems", 11.6.- ... M. Butterling, W. Anwand, S. Cornelius, K. Potzger, A. Smekhova, M. Vinnichenko, A.Wagner, "Investigations of defects in magnetic TiO2 using a slow-positron-beam", Abstract Book of the 16th International Conference on Positron Annihilation (ICPA16), University of Bristol, United Kingdom, 19-24 August 2012, p.150 (2012) 3. ... 7540-7544 (2012)...

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• http://magn115.phys.msu.ru/Rus/DETI2/list_links_DETI2_2013.pdf
• Сотрудники кафедры магнетизма: Родионова Валекрия Викторовна
• Сотрудники кафедры магнетизма: Перов Николай Сергеевич

... Postgraduate student, School of Public Administration, Lomonosov Moscow State University. ... The new privatization plan implies total sale of state property. This approach may lead to ineffective management of state property and undermine the principles of strategic planning of Russian economy. State property is a powerful tool of economic development, and its total privatization seems to be unreasonable. ... Privatization of state property, strategic planning of economy. ...

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New semidirect MP2 properties/gradient code was developed to speed up MP2 gradient and related jobs , to seriously reduce memory demands and to allow efficient parallel execution . ... New code is triggered on by the presence of METHOD=1 keyword in $MP2 group and its behavior is further controlled by either $MP2 GRDMET=1 $END or $MP2 GRDMET=2 $END (the default) switch. ... Below is the recommended part of the input file to be used with the new MP2 gradient code: . ... PC GAMESS/Firefly' NBO code . ...

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• PC GAMESS/Firefly DOCUMENTATION - TDDFT
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... To acquaint the reader with nonlinear dynamic systems; . ... The geology investigates of the Earth as a dynamic system. ... The analysis of behavior of systems with nonlinear interplay during time is a subject of this E-textbook. ... Key words: geological processes, dynamic system, nonlinear processes, chaotic dynamics, deterministic chaos, fractals. ... Chapter 1. ... For more information concerning the E-textbook "Dynamic processes in geology: Introduction to nonlinear systems" refer to the...

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• Summaries of articles
• V.Zakharov's Ph.D. thesis

... defmacro defprinter ( name args &body body ) . ... body ) ) . ... defprinter :property ( type name &rest body ) . print-statement-with-body stream body nil "public ~a ~a" type name ) ) . ... defprinter :get ( &rest body ) . print-statement-with-body stream body nil "get" ) ) . ... defprinter :constructor ( name args &rest body ) . ... defprinter :class ( name &rest body ) . print-statement-with-body stream body t "public class ~a" name ) ) . ... defprinter :namespace ( name &rest body ) . ...

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• ENSDF Relational

... The suggested algorithm tries to solve the problem of the detection of hydrophobic clusters corresponding to spatial areas occupied exclusively or mainly by non-polar groups of atoms, in a given 3D structure of protein or macromolecular complex. ... The vertices of each connected component that contains not less than m non-polar groups form a hydrophobic cluster. ... The found hydrophobic clusters, ordered in accordance to the number of non-polar groups, form the output of the algorithm. ... PHE . ...

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• SDPpred
• Inquiry information || Distances
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... Furman and A.V.Tikhonravov, "Basics of optics of multilayer systems" , Editions Frontiers, Gif-sur Yvette, 1992, 242 p. A.V. Tikhonravov, M.K. Trubetskov, I.V. Zuev and P.G. Verly, "Efficient Refinement of Inhomogeneous Optical Coatings", in "Optical Interference Coatings", OSA Technical Digest Series, vol. ... A.V. Tikhonravov, M.V. Klibanov, I.V. Zuev, "Numerical study of the phaseless inverse scattering problem in thin film optics", Inverse problems, 1995, Vol. 11, pp. ... Основные публикации . ...

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