Hybrid Molecular Mechanics : For Effective Crystal Field Method for Modeling Potential Energy Surfaces of Transition Metal Complexes M. B. DARHOVSKII/-2 M. G. RAZUMOV/ A. L. TCHOUGREEFF12 1 3 I. V. PLETNEV,2' 4 L. Y. Karpov Institute of Physical Chemistry , Moscow , Russia 2 Center for Computational Chemistry at the M. V. Keldysh Institute/or Applied Mathematics of RAS, Moscow , Russia 3N. S. Kurnakov Institute of General and Inorganic ... 2002 Wiley Periodicals, Inc. ...

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О лаборатории . ... Лаборатория теоретической биофизики . ... On this page we collect references to our resources, documentation and resources on other sites. All these data are very helpful for everybody who wants to learn practical quantum chemistry. Firefly (PC GAMESS) main page . ... ERG group wrote some articles about visualization: . ... Нет комментариев " Quantum chemistry information page " . ... Quantum chemistry information page . ... 2015 ERG Research Group . ...

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... 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. ...

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The QToolButton class provides a push button whose appearance has been tailored for use in a QToolBar . ... QToolButton  ( QWidget * parent = 0, const char * name = 0 )  . QToolButton  ( const QPixmap & pm, const char * textLabel, const char * grouptext, QObject * receiver, const char * slot, QToolBar * parent, const char * name = 0 )  . ... void  setIconSet  ( const QIconSet & )  . ... void  setOn  ( bool enable )  . ... See also: QPushButton , QToolButton and GUI Design Handbook: Push Button . ...

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The laboratory is engaged in fabricating high-efficiency catalysts and working out model descriptions of kinetics and mechanisms of the processes which take place in chemical power sources. The electrochemical techniques of catalysts preparation aimed to obtaining microloadings of platinum metals are developed, and the approaches to the regulating of the quantity and dispersion of deposited metal (by means of varying the support type, deposition potential, electrolyte composition, etc) are found. ...

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Electron and proton impact ionization of atoms and molecules . Theory of few-body Coulomb scattering This is one of the major topics in the research activity of our laboratory. ... Electron momentum spectroscopy (EMS) EMS is the (e,2e) method involving high incident energy and large momentum transfer. ... We develop a theory of the single- and double-ionization EMS processes in atomic and molecular systems. ... c) Laboratory of mathematical models of quantum scattering processes, 2012 . ...

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MCQDPT vs. XMCQDPT: low-lying excited states of O3 molecule Ilya G. Ryabinkin1 , Laboratory of Quantum Mechanics and Molecular Structure, Chemistry Department of Moscow State University, 119991, Leninskie Gory 1-3, Moscow, Russia. ... XMCQDPT: low-lying excited states of O3 Introduction: A brief overview of MCQDPT theory Reliable, cost-effective alternative to other multi-reference (MR) approaches, such as MR-CI(+Q), ic -MRCI, MR-AQCC and MR-ACPF. ... XMCQDPT: low-lying excited states of O3 ...

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Development of new approaches to the analysis of ring shapes in organic molecules and the description of electronic distribution (atomic charges) and halogen bonding in the framework of forcefield model for rapid estimation of intra- and intermolecular interaction energies in molecular mechanics, molecular dynamics and docking methods . Forcefield is a model and a set of parameters for theoretical description of intra- and intermolecular interactions. ... 2016 Laboratory of Medicinal Chemistry ...

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user DESCRIPTION= Ad-filtering web proxy featuring an effective heuristic ad-detection algorithm HOMEPAGE= http:// bfilter.sourceforge.net / SRC_URI= mirror://sourceforge/ bfilter /${P}.tar.gz LICENSE= GPL-2 SLOT= 0 KEYWORDS= ~amd64 ~x86 IUSE= X debug RDEPEND= sys-libs/zlib dev-libs / ace := dev-libs /libsigc++:2 X? ( dev-cpp/gtkmm:2.4 x11-libs/libX11 ) dev-libs / ...

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... Query= aroE description (272 letters) Database: vc 344 sequences; 4,053,984 total letters Searching.done Score E Sequences producing significant alignments: (bits) Value embl|AE004096|AE004096 Vibrio cholerae O1 biovar eltor str. N169... 245 4e-66 embl|AE004120|AE004120 Vibrio cholerae O1 biovar eltor str. N169... 28 0.73 embl|AE004246|AE004246 Vibrio cholerae O1 biovar eltor str. N169... 26 4.7 >embl|AE004096|AE004096 Vibrio cholerae O1 biovar eltor str. ...

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... J.K. Krylov . In the monography by R. Koehler [1] there was described a very interesting effect of the words' average length oscillation as a function of their frequency of use (according to the data from a representative frequency dictionary). ... In this context, further the Koehler's effect will be definied as polymodal character of the dependence of the conditioned average in cases of two-dimencional distributions of any linguistic nature. ...

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... Russian Pages . CDFE: Home Page . ... Numerical data, graphics, and bibliography . ... description] . Last updated: May 6th, 2014 . ... Last updated: June 15th, 2011 . ... Last updated: . ... Last updated: April 4th, 2015 . ... Last updated: February 25th, 2016 . ... Last updated: September 27th, 2011 . ... Photonuclear Data Index since 1955 . ... Last updated: September 15th, 2015 . ... Last updated: March 22th, 2010 . ... Last updated: March 19th, 2015 . ... Last updated: May 15th, 2002 . ...

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A.V. Tikhonravov , M.K. Trubetskov, Design and monitoring approaches for the production of high quality optical coatings // Proc. SPIE. ... 7995. 79951Q . ... At the modern state of art in production of innovative optical coatings, especially in production of high quality optical coatings for challenging applications, it is necessary to perform a combined choice of design and monitoring approach that should be applied for optical coating manufacturing. ...

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... Place of birth (City and Country): Moscow, Russia . ... 119899, Quantum Theory and HEP, Phys. Dept., ... lagrangian", Proceeding of 11th International Seminar on High Energy Physics . ... Physics and Field Theory, Protvino, Russia, 2000. (in print) . ... XVth International Workshop "High Energy Physics and Quantum Field Theory" . ... XXIII International Workshop on the Fund of High Energy Physics and Field Theory, . ... The XVth International Workshop "High Energy Physics and Quantum Field Theory", ...

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... USG-sponsored programs Alumni Association Professionals for Cooperation in cooperation with Omsk State Pedagogical University and Inter-Universities Center for International Cooperation and Academic Mobility have the honor to invite you for participation in the Fourth International USG sponsored programs Alumni Conference Effective University Management : Best Practices , New Trends and ... Role of international experience in the development of Higher Education. ...

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... Форумы > Книжная барахолка > Тема . Автор темы Lucifer . Форумы Список тем Новая тема . ... Куплю: Мейерс Effective C++ на русском . Effective C++ на русском. ... http://www.ozon.ru/context/detail/id/95276/ . ... http://www.ozon.ru/context/detail/id/117646/ . ... Следующая тема Предыдущая тема . ... Извините, только зарегистрированные пользователи могут публиковать сообщения в этом форуме. ... Сайт работает с 29.08.2000, Copyright 2000 2011 MMOnline.Ru and MMForce.Net, . ...

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. You can get a short description of each ftp command by typing help followed by the command you want to know more about and pressing the <RETURN> key. For example: ftp> help open open connect to remote tftp ftp> . If you find this description is too brief you will find a much fuller one for each command in the Unix Programmer's Manual pages for ftp .

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