... 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. ...

Еще в разделе: (Показать все результаты (>788) - chem.msu.ru/ )

• Molecular mechanics calculations of beta-diketonate, aqua, and

... METHOD . ... public interface AttributeSet . AttributeSet is an inquiry interface for a collection of Attributes. ... Tests if the Attribute identified by name is in this set. ... Retrieve the attribute associated with the specified name. ... Returns AttributeIterator for the elements. ... a new Array containing the elements of this set. public Attribute get (java.lang.String name) . ... If a different Attribute with the same name, was in the set, it is returned, otherwise null is returned. ...

Еще в разделе: (Показать все результаты (>100) - angel.cs.msu.su/ )

• : Class Schema
• : Class AbstractNetcdf
• : Class ProtoVariable

... All circuit parameters have been presented in a symbolic form. ... To use the program you will need a CIR file (PSpise, DesignLab file) of your circuit. CIR file examples have been enclosured: bpasside.cir, test1.cir, test2.cir, test3.cir, test4.cir, laksamp.cir, bridge.cir, uA741acf.cir, quartz.cir. ... Ideal operational amplifier (nullor) * Nname n1 n2 n3 n4 * * In the ideal op amp data, (n1,n2) represent output nodes, * (n3,n4) represent input nodes (noninverting, inverting). ...

Еще в разделе: (Показать все результаты (>13) - astrometric.sai.msu.ru/ )

• Symbolic matrix processor

... Online Services | ... CDFE => Online Services => Chart of Nucleus Shape Parameters . Nucleus quadrupole deformation parameter ? ... At.Data Nucl.Data Tables 78, 1 (2001)] . ... N.J.Stone, At.Data Nucl.Data Tables, 90 75 (2005)] . ... Nucleus charge radii: . ... Nadjakov E. G., Marinova K. P. and Gangrsky Y. P., At.Data Nucl.Data Tables, 56, 133(1994)] (updated 2015) . ... I. Angeli, At.Data Nucl.Data Tables, 87, 185 (2004), updated 2008] . ... CDFE Head: Vladimir V. Varlamov . ...

Еще в разделе: (Показать все результаты (>33) - cdfe.sinp.msu.ru/ )

• CDFE => Online Services => Nucleus Ground State Parameters
• CDFE => Online Services => Calculator and Graph Engine for Atomic Nuclei
• CDFE => Online services => Chart of Nuclear Quadrupole Deformations

... 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. ...

Еще в разделе: (Показать все результаты (>31) - analyt.chem.msu.ru/ )

• Molecular Mechanics Calculations of beta-Diketonate, Aqua, And
• The Molecular Mechanic Approach to Coordination Compounds: Force Field Based on

All Firefly versions can take optional command line arguments. ... firefly [optional command line options in any order] [optional list of working directories] . ... The list of most widely used command line options is given below: . ... Disables validity check of the command line arguments (e.g., check for valid names of files and directories, etc...) passed to Firefly. ... However, if this option is not given, one must provide the list of working directories when running Firefly in parallel mode. ...

Еще в разделе: (Показать все результаты (>34) - classic.chem.msu.su/ )

• PC GAMESS/Firefly DOCUMENTATION - Cube files

... 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 . ...

Еще в разделе: (Показать все результаты (>9) - bioinf.fbb.msu.ru/ )

• input

... Spectral and kinetic parameters of phosphorescence of triplet chlorophyll a in the photosynthetic apparatus of plants. ... Spectral and kinetic parameters and quantum yield of IR phosphorescence accompanying radiative deactivation of the chlorophyll a (Chl a) triplet state were compared in pigment solutions, greening and mature plant leaves, isolated chloroplasts, and thalluses of macrophytic marine algae. ... This parameter is stable in leaves of different plant species. ...

Еще в разделе: (Показать все результаты (>21) - biochem.bio.msu.ru/ )

... Calculating the Part of the Nonlinearity Parameter for Two Component System . ... The known relation for nonlinearity parameter B/A allows to calculate the pointed quantity if the value of the derivatives of sound velocity u on temperature T and pressure P are known. The dependence of u on T and P for two component mixture can be found from the relation for sound velocity in the mentioned mixture Umix which was derived by the author earlier. ...

Еще в разделе: (Показать все результаты (>239) - acs366.phys.msu.su/ )

• Abstract (Invited)
• AUTHOR : Denisov D

New achievements in Development of Multidimensional Data Acquisition, Processing and Visualization DAQPROVIS M. MorhА *, 1, 2 , V. Matousek 1, 2 1, 3 , J. Kliman 1, 2 , 1 Institute of Physics, Slovak Academy of Sciences, Bratislava, Slovakia 2 Flerov Laboratory of Nuclear Reactions, JINR, Dubna, Russia 3 Laboratory of High Energies, JINR, Dubna, Russia * E-mail: morhac@savba.sk ACAT - 2002 I. Turzo c 1, 3 , . ... The channels are displayed as balls. ... Four-parameter experimental spectrum. ...

Еще в разделе: (Показать все результаты (>59) - acat02.sinp.msu.ru/ )

• http://acat02.sinp.msu.ru/presentations/nikitin/posterACAT2002.doc
• http://acat02.sinp.msu.ru/presentations/matousek/ACAT2002_Matousek.pdf
• http://acat02.sinp.msu.ru/presentations/kryukov/acat02-020625.pdf

... Introduction As is well known, according to Special Relativity (SR) a transition from an immovable reference system to any moving one may by interpreted as some rotation in the Minkowski space. ... In fact, when we come from an immovable reference system to any moving one, the tme axis turns on the angle depending on velocity, and the light world line must stay the bisectrix. ... Besides, the new distances along the new time axis between light cones will not equal to the old ones. ...

Еще в разделе: (Показать все результаты (>449) - chronos.msu.ru/ )

• http://temporology.bio.msu.ru/EREPORTS/shulman_time.pdf
• http://temporology.bio.msu.ru/EREPORTS/timashev_on_the_microscopic.pdf
• http://temporology.bio.msu.ru/EREPORTS/shulman_universe.pdf

ft ra D DAYS on DIFFRACTION 2012 1 Theory of selfrefraction effect of intensive fo cused acoustical b eams V.A. Gusev Lomonosov's Moscow State University, Physical Faculty, Department of Acoustics, Russia, 119991, Moscow, Leninskie gori; e-mail: vgusev@bk.ru The theory of selfrefraction of nonlinear acoustical beams is developed based on some exact and approximate analytical equations and solutions. ... What is the main factor limiting the pressure in the focus -- diffraction or selfrefraction? ...

Еще в разделе: (Показать все результаты (>50) - acoustics.phys.msu.ru/ )

• http://acoustics.phys.msu.su/teachers/gusev_files/rao24-2.pdf
• http://acoustics.phys.msu.su/teachers/shanin_files/~shanin/papers/ursi2.pdf
• http://acoustics.phys.msu.su/teachers/lecture/matmodel.pdf

... Further processing Only 3N events of «good» runs of previous analysis are selected: 3N triggered events exist in every run Better accordance with MC for rates 150kHz (see elog 548 by Colas) GC triggered events excluded AaFit: -6.5 (Vladimir's presentation explains reason) Zenith angle 20° (in order to look only at events with vertical tracks) After 2008 2009 2010 all fi year year year ltres: -- 0.83107 -- 0.77107 -- 1.04107 - No evidence of possible anisotropy either. ...

Еще в разделе: (Показать все результаты (>19) - antares.sinp.msu.ru/ )

• http://antares.sinp.msu.ru/docs/highQC_2011_Bamberg.pdf
• http://antares.sinp.msu.ru/docs/Shirokov%20-%20The%20first%20results%20of%20MSU%20groups%20in%20ANTARES%20project.pdf
• http://antares.sinp.msu.ru/seminar/Kulikovskiy.pdf

... New Approach to the Defibrillation Problem: Suppression of the Spiral Wave Activity of Cardiac Tissue A. Yu. ... It is shown that a weak external point action on such a medium leads to the suppression of all spiral waves and, correspondingly, to the stabilization of the system dynamics. ... Thus, the most favorable frequencies for suppression are external-action frequencies at which the frequency of circular waves excited by them is close to the maximum possible value for given medium parameters. ...

Еще в разделе: (Показать все результаты (>71) - chaos.phys.msu.ru/ )

• http://chaos.phys.msu.ru/loskutov/PDF/JCTE1358.pdf
• http://chaos.phys.msu.ru/loskutov/PDF/Coding_Engl_MSU.pdf
• http://chaos.phys.msu.ru/loskutov/PDF/Galss_ceramics.pdf

Another mechanical model of parametrically excited pendulum and stabilization of its inverted equilibrium position Anton O. Belyakov 1 Lomonosov Moscow State University 2 Vienna University of Technology 8th European Nonlinear Dynamics Conference (ENOC 2014) Vienna, July 7, 2014 Scheme of a parametric pendulum y O l (t ) - g m 2 r1 + m 2 Equations of motion mr 2 1 d d2 + c1 + m g l (t ) sin () = 0 dt 2 dt (1) Dimensionless equation Three dimensionless parameters and ...

Еще в разделе: (Показать все результаты (>12) - belyakov.imec.msu.ru/ )

• Anton O. Belyakov

... In general terms, the procedure of adaptive segmentation could be based on the estimation of the extent of similarity of an initial fixed interval of EEG with an EEG interval of the same duration viewed through the time window running along the EEG recording. ... Beyond the stationary segment to which the model parameters were fitted the prediction error will sharply increase, thus signalling the termination of the foregoing segment and the beginning of the next one. ...

Еще в разделе: (Показать все результаты (>51) - brain.bio.msu.ru/ )

• S.Borisov
• Nonparametric approaches to the description of EEG piecewise stationary
• Conclusion

... L Сd , Pol a nd ABOUT EFFECTIVE MODES METHOD FOR DESCRIPTION OF INTERNAL DYNAMICS OF WEAKLY BOUND CLUSTERS Elena Belega, Evgeny Cheremukhin 1 , Dmitry Trubnikov Abstract: New approach to describe the internal dynamics of weakly bound clusters is presented. ... It is found that the number of active collective modes depends on the initial cluster excitation and that the internal energy is partitioned nonuniformly among the modes. ... Collective motion of oxygen atoms performs mostly in plane. ...

Еще в разделе: (Показать все результаты (>20) - beams.chem.msu.ru/ )

• http://beams.chem.msu.ru/sotrudniki/larin/IJQCh_04.pdf
• http://beams.chem.msu.ru/sotrudniki/larin/IJQC82.pdf
• http://beams.chem.msu.ru/sotrudniki/larin/IJIM99.pdf

... Authors: R. Genzel et al. astro-ph/0310723 Космологические параметры согласно SDSS и WMAP (Cosmological parameters from SDSS and WMAP) . ... Authors: G. Schneider, J. M. Pasachoff, L. Golub . ... astro-ph/0310723 Космологические параметры согласно SDSS и WMAP (Cosmological parameters from SDSS and WMAP) . ... Authors: J. Richard Gott III et al. astro-ph/0310028 Магнитные поля и космические лучи в потоках с охлаждением (Magnetic fields and cosmic rays in cooling flows) . ...

Еще в разделе: (Показать все результаты (>139) - astro.uni-altai.ru/ )

• http://xray.sai.msu.ru/~polar/sci_rev/1009.html

... Voronov, Vasiliy. Scalability and efficiency of parallel power grid simulations on massively-parallel platforms (submitted). ... 2009. ... Voronov, Vasiliy and Popova, Nina. ... Conference proceedings 2010. ... Abstract Book of SIAM Conference on Parallel Processing for Scientific Computing (SIAM PP10). ... Proceedings of the International Conference on Parallel Computing (ParCo-2009). ... IEEE Computer Press. ... Pozdneev, Alexander and Popova, Nina and Voronov, Vasiliy. ...

Еще в разделе: (Показать все результаты (>3) - angel.cmc.msu.ru/ )

• http://angel.cmc.msu.ru/~ifed/teraflops/Popova_MPI.pdf

... Veselovsky, V.A., Djanumov D.A. The use of biophysical methods in the study of adaptive reactions of plants, in connection with the problem of resistance. ... Kulaeva, O.N., Mikulovich T.P., Veselova, T.V., Veselovsky, V.A., Kukina, I.M., Klyueva N.Yu. ... Veselovsky, V.A., Veselova T.V . ... Nauka, Moscow (in Russian).1990. 200 p. Veselova T.V., Veselovsky V.A., Chernavsky D.S. Stress of Plant: A Biophysical Approach. ... Veselova T.V., Veselovsky V.A. Photosynthesis and stress of plant cells. ...

Еще в разделе: (Показать все результаты (>4) - biophys.msu.ru/ )