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Many systems, especially those which contain transition metals and/or make use of ECP basis sets, are very difficult to converge. This problem is typically related with the improper quality of initial guess orbitals. ... You need to perform geometry optimization, hovewer, you cannot even force SCF to converge at the initial geometry! ... Could it be the case I can use these two sets of converged SCF orbitals of fragments to form better initial guess for the entire molecule? ...

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Irena Lasiecka ( University of Virginia ) . Nikolai Melnikov (CEMI / MSU) . Mikhail Zelikin (MSU / Steklov Institute) . G. Avalos ( University of Nebraska , USA ) . V. Borisov (MSU, Moscow) . ... O. Emanouvilov ( Colorado State University , USA ) . A. Fursikov (MSU, Moscow) S. Hansen ( Iowa State University , USA ) R. Hildebrand ( Joseph Fourier University , France) V. Komornik ( University of Strassburg, France ) A. Kowalewski ( Institute of Automatics, Poland ) . ... Moscow) . ...

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... Awards and Prizes . ... Home Research Awards and Prizes . Scholarships of Lomonosov Moscow State University for PhD students and young scientists: . Alexey L. Voskov . ... Awards of XIX International Conference on Chemical Thermodynamics in Russia RCCT?2013 (5 of 16): . ... Ilya Pentin, Alexey Voskov (2005) . ... Awards of Moscow government in 2005: . ... Colloquium on 24.12.12 20 Dec 2012 . ... Laboratory of Chemical Thermodynamics . ... 2000-2016 Laboratory of Chemical Thermodynamics . ...

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... ACAT'2003 : IX INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT03), 1-5 December, 2003, Tsukuba, Japan. ... Advanced Statistical Methods for Data Analysis Traditionally, researchers from high energy and nuclear physics together with experts in computer science take part in the ACAT series of workshops. ... Thus, researchers from these and other fields are welcome to join us in discussions on modern computing techniques and ways for new developments. ...

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... Данный раздел информационного портала посвящен основным конференциям по тематике ПЛИС, проходящим как в мире, так и в России. FPGA 2010 - Eighteenth ACM/SIGDA International Symposium on Field-Programmable Gate Arrays. ReConFig'09 - 2009 International Conference on ReConFigurable Computing and FPGAs. ИКТМР-2009 . ... 2009 Symposium on Application Accelerators in High-Performance Computing (SAAHPC'09) . RAW 2009 . ... 5th International Workshop on Applied Reconfigurable Computing. ...

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... Ph.D. in Physics and Mathematics (Theoretical and Computational Chemistry), Department of Chemistry, M.V.Lomonosov Moscow State University . M. Sc. in Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University (2000), Thesis: "Ab initio study of equilibrium structures and vibrational spectra of molecular clusters". ... Undergraduate Student, Department of Chemistry, M. V. Lomonosov Moscow State University (1995-2000). ... Quantum and Computational Chemistry; . ... autumn 2001. ...

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ft ra D INTERNATIONAL CONFERENCE DAYS ON DIFFRACTION 2015 ABSTRACTS May 25 ґ 29, 2015 St. Petersburg ft ra D ft ra D 176 DAYS on DIFFRACTION 2015 (Fig. 1(a)), we show that in contrary to the free space scenario the uniform wavefronts (Fig. 1(b)). ... Down: Auto correlation function of the laser pulse. ... We measured auto correlation function of the 130-fs laser pulse with tunable central wavelength, which passed through magneto-photonic crystal with the center of micro cavity mo de at the 895 nm. ...

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