Chemistry 460 Spring 2013 Dr. Jean M. Standard April 25, 2013 Basis Set Notation Using the LCAO-MO approximation, molecular orbitals can be represented as linear combinations of atomic orbitals, K i = µ =1 c µi f µ . 1) In this equation, the functions i are molecular orbitals, f µ are atomic orbitals, c µi are numerical coefficients, and K is the total number of atomic orbital functions (or basis functions). ... The orbital exponent controls the size of the basis function. ...

Еще в разделе: (Показать все результаты (>60) - erg.biophys.msu.ru/ )

• comcon1 ERG Research Group: Лаборатория теоретической биофизики
• Using RESP with GAMESS-US and Firefly (PC-GAMESS) ERG Research Group:
• OPLS-AA patch for different types of molecules ERG Research Group: Лаборатория

by Margarita Dzhalalova It is known that the pressure difference values for a round parachute are constant over total canopy, then for a square parachute the values of pressure difference are non-uniform along radial ribbons differing even from each other and depending mainly on certain sets of line lengths, and therefore square parachutes attain different shapes from each other ( Fig.1 - photo of var.1 and var.2). ... Distribution of pressure coefficient along radial ribbons of square parachute. ...

Еще в разделе: (Показать все результаты (>7) - margaret.imec.msu.ru/ )

... PHYSICAL INSTRUMENTS FOR ECOLOGY, MEDICINE, AND BIOLOGY Laser­Electron X-Ray Source for Medical Applications E. G. Bessonov, A. V. Vinogradov, and A. G. Tourianskii Lebedev Physical Institute, Russian Academy of Sciences, Leninskii pr. ... It includes two electron storage rings (E 50 MeV) placed in the vertical plane and two laser resonators located in the horizontal and vertical planes. ... Electrons can be injected into the storage rings singly or during several cycles through the injectors. ...

Еще в разделе: (Показать все результаты (>8) - miles.sinp.msu.ru/ )

• Proposal of a Compact Repetitive Dichromatic X-ray Generator with Millisecond

... 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). ...

Еще в разделе: (Показать все результаты (>22) - lcc.chem.msu.ru/ )

• Research Interests
• History
• Laboratory of Chemical Cybernetics

... A.S.Chepurnov, A.S.Alimov, D.I. Ermakov, V.I. Shvedunov, F.N.Nedeoglo, V.V.Garbuzov, D.V. Komissarov, N.S.Kochetkov, A.S.Lisjutin, R.E.Shugaley "How PC helps to develop new small control system for new small accelerator." (pdf) . ... A. Chepurnov, A. Alimov, D. Ermakov, V. Shvedunov "CONTROL SYSTEM FOR NEW COMPACT ELECTRON LINAC" (pdf) . ... A.S. Chepurnov, F.N. Nedeoglo, D.V. Komissarov "OPERATING SYSTEM LINUX AS DEVELOPING AND RUNTIME PLATFORM FOR CONTROL SYSTEM OF PARTICLE ACCELERATOR." (pdf) . ...

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

Published on Department of the Automation for Scientific Research CMC MSU ( http://ani.cs.msu.su ) . ... Department of the Automation for Scientific Research (ASR) was founded in 1988 on the basis of research and teaching group of the Mathematical Physics Department (former Department of Computational Mathematics). ... Under his guidance the department performs wide spectrum of research in the field of computer simulation of complex systems and processes. ...

Еще в разделе: (Показать все результаты (>3) - ani.cs.msu.su/ )

GRID WARPING FOR IMAGE SHARPENING USING ONE-DIMENSIONAL APPROACH Andrey Krylov, Alexandra Nasonova and Andrey Nasonov Laboratory of Mathematical Methods of Image Processing Faculty of Computational Mathematics and Cybernetics Lomonosov Moscow State University Email: kryl@cs.msu.ru ABSTRACT A new method for image sharpening via image warping is proposed. ... The aim of the proposed method is to transform edge points coordinates in such a way that the slope of the edge becomes steeper (see Fig. ...

Еще в разделе: (Показать все результаты (>74) - imaging.cmc.msu.ru/ )

• http://imaging.cs.msu.ru/pub/2011.Graphicon.Zipa_Ignatenko.MetallicCoating.en.pdf

... Поиск по МГУ | Лента новостей | ... Форумы > Новости МГУ > Тема . ... Заведующий отделом НИИ ядерной физики МГУ имени Ломоносова рассказа о бозоне Хиггса простыми словами . Доктор физико-математических наук, заведующий отделом НИИ ядерной физики МГУ имени Ломоносова ( НИИЯФ МГУ ) Эдуард Боос прочел лекцию 'О бозоне Хиггса - простыми словами'. ... Итак, наличие такой частицы согласуется с гипотезой о том, что это бозон Хиггса Стандартной модели. ... 2003 2011 MsuNews.Ru Новости МГУ . ...

Еще в разделе: (Показать все результаты (>9) - www.msunews.ru/ )

... The earlier meaning assigned to ca- was `to set up, dedicate', while C. Melchert believes that verbs formed from this root can mean both `to promise, pledge' and `to agree, assent'.7 The verbal root o- also seems to refer to some sort of verbal activity.8 The root of the cognate stems i- and in- is probably the same as that of Hitt . ie- and Luw. - `to do, make', and the meaning of the Hittite and Luwian verbs suits the appropriate Lydian contexts.9 ... 7 Melchert 1997: 39-41. ... EWL ~ Lyd...

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

• http://www.imk.msu.ru/Structure/Linguistics/yakubovich/download/palaic1.pdf
• http://www.imk.msu.ru/Structure/Linguistics/yakubovich/download/refl-ucla.pdf

... More Reports . ... Defence calls reflect levels of discomfort in the pallid gerbil ( Gerbillus perpallidus ) // Advances in Ethology. Contributions to the 5-th International Symposium on Physiology, Behaviour and Conservation of Wildlife. ... In contrast, winners never called. ... We assumed that a shortening of the distance between combatants reflected an increase of discomfort for the loser (caller), whereas an increased distance reflected decreased discomfort. ... Research * Student Reports . ...

Еще в разделе: (Показать все результаты (>48) - vertebrata.bio.msu.ru/ )

• Выступления студентов и аспирантов на конференциях

Geophysical Prospecting, 2007, 55, 265­275 Estimation of clay content in soil based on resistivity modelling and laboratory measurements Vladimir Shevnin , Aleksandr Mousatov, Albert Ryjov and Omar Delgado-Rodriquez Mexican Petroleum Institute, Eje Central Lazaro Cardenas 152, Col. ... Theoretical model: clay porosity = 55%, sand porosity = 25%, rsand = 10-4 m, rclay = 10-8 m, M = 0.75. ... Numerical modeling of the role of water and clay content in soil and rock bulk electrical conductivity. ...

Еще в разделе: (Показать все результаты (>39) - geophys.geol.msu.ru/ )

• http://geophys.geol.msu.ru/shevnin/publ/167.pdf
• http://geophys.geol.msu.ru/shevnin/publ/148.pdf
• http://geophys.geol.msu.ru/shevnin/publ/182.pdf

... Наука . ... Десять наиболее красивых физических экспериментов . ... Итак, самыми красивыми экспериментами были названы . ... 29.10.2002 А вот эти же эксперименты в виде компьютерных анимаций . 4.10.2002 Самые красивые и самые продуктивные? 4.10.2002 Красивейшие не есть продуктивные или важнейшие . ... Научная Сеть . ... Вычислительная математика . ... Математика . ... Междисциплинарные науки . ... Экономические науки . Юридические науки . ...

Еще в разделе: (Показать все результаты (>296) - www.nature.web.ru/ )

• Десять наиболее красивых физических экспериментов
• Патогенетическая роль оксида азота при бронхиальной астме
• Молекулярно-биологические аспекты имплантации у человека и животных

... 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 ...

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

• Research - Laboratory of Medicinal Chemistry
• Flavivirus Reproduction Inhibitors - Laboratory of Medicinal Chemistry
• Forcefield development - Laboratory of Medicinal Chemistry

... T.O. Kyrey, O.A. Kyzyma, M.V. Avdeev, T.V. Tropin, M.V. Korobov, V.L. Aksenov, L.A. Bulavin. ... Korobov M.V., Batuk M.M., Avramenko N.V., Ivanova N.I., Rozhkova, N.N., Osawa E.љ Do Primary Particles of Detonation Nanodiamond Form a Secondary Structure?љ ... Vassiliev V.P., Legendre B., Zlomanov V.P.љ The critical analysis and mutual coherence of thermodynamic data of the A III B V phasesљ . ... V.L. Aksenov, M.V. Avdeev, T.V. Tropin, M.V. Korobov, N.V. Kozhemyakina, N.V. Avramenko L. Rosta. ...

Еще в разделе: (Показать все результаты (>92) - td.chem.msu.ru/ )

• Research Areas Laboratory of Chemical Thermodynamics

... wLake 1.7 . wLake is a tool which allows to identify clusters of a structural water molecules in given superimposed 3D structures. Put your coordinates in PDB format into the text area. Select a distance threshold. Two water molecules from different structures will be concidered as located in the same space point if the distance between centers of oxygen atoms is less than this threshold. ... EACH STRUCTURE INCLUDING ITS WATER MOLECULES MUST BE PRESENTED AS SEPARATE MODEL: EXAMPLE. ...

Еще в разделе: (Показать все результаты (>4944) - mouse.belozersky.msu.ru/ )

... Разработка и внедрение образовательных программ повышения квалификации специалистов в области инновационной деятельности . ... Master Degree in Geology . Master Degree in Management . Master Degree in Chemistry . ... 06/04/2016 . ... 29 марта 2016 г. День открытых дверей Высшей школы инновационного бизнеса . ... 27 марта 2016 года Московский государственный университет имени М.В.Ломоносова приглашает на весенний ДЕНЬ ОТКРЫТЫХ ДВЕРЕЙ . ... New technologies in gas chemistry . ...

Еще в разделе: (Показать все результаты (>15) - www.hsib.msu.ru/ )

... Departments . ... Crystallography and Crystal Chemistry . ... The Head of the Chair, Academician V.S.Urusov The Chair of Crystallography and Crystal Chemistry was founded in Lomonosov Moscow State University by Correspoding Member of USSR Academy of Sciences Prof. G.B. Bokii in 1949. ... The Chair of Crystallography and Crystal Chemistry provides education in the field of crystallography for all students of the Faculty of Geology of Moscow State University (about 200 students per year). ...

Еще в разделе: (Показать все результаты (>66) - www.geol.msu.ru/ )

Speech of the Head of the Federal Agency for Education Mr. G.A. Balykhin at the leading higher school institutions of Russia and China forum "The role of international cooperation in the Higher Education Quality Increase" Dear rectors of the leading Higher School Institutions of Russia and China! ... Dear rectors! ... As you know, the 1st Forum was held in Peking University, during the "Year of Russia in China". ... Best wishes, good luck, the 2nd Forum of Rectors of Russia and China! ...

Еще в разделе: (Показать все результаты (>20) - www.rsr-online.ru/ )

• http://www.rsr-online.ru/doc/norm/88.doc
• http://www.rsr-online.ru/doc/2011_10_31/3.pdf
• http://www.rsr-online.ru/doc/norm/78.doc

... Perturbation Theory has a long tradition. ... The stability of an equilibrium (or periodic) state of a system depends in the first instance on the eigenvalues of the system linearized about that state. ... After an introductory chapter on stability theory, a long Chapter 2 deals with bifurcation analysis of eigenvalues of matrices depending on several parameters: this is the core of the book on which most of the rest depends. ...

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

• Multiparameter Stability Theory with Mechanical Applications

Execution performance of NAS tests . The tables, presented below, contain information about sizes and performance of MPI-programs and DVM-programs for NAS tests. ... Performances of DVM-programs and MPI-programs are comparable. ... Second, MPI-versions of some tests use parallelization along two dimensions of processor grid, whereas DVM-versions of all tests are performed now only on a line of processors. ... RCC-cluster Pentium III/500 + SCI, . ... BT test execution times in seconds (class A) . ...

Еще в разделе: (Показать все результаты (>48) - sp.cs.msu.ru/ )

• DVM-system. Version history