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Prediction of physical properties of materials based only on their chemical composition has long been an intriguing task. ... The main interests of Prof. Lebedev 's group are physical properties of crystals exhibiting structural instability, in which different phase transitions (including the ferroelectric one) can appear. ... A.I. Lebedev. ... Physics of the Solid State 51 , 362 (2009) ; e-print arXiv:1305.0240 (2013) ; [local copy] . ... Physics of the Solid State 51 , 2324 (2009) ; [local copy] . ...

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• Static and kinetic thermal properties of ferroelectrics in the phase transition
• Theory of electronic properties of disordered semiconductors and systems with
• Optical and photoelectric properties of anisotropic semiconductors

Fortran 90 properties already in CF77 . ... Only the old form (fix form) of the source code is available. ... LOGICAL Default KIND number = 8 INTEGER Default int7 int15 KIND number = 6 1 2 digits = 46 7 15 radix = 2 2 2 range = 13 2 4 huge = 70368744177663 127 32767 bit_size = 46 8 16 INTEGER int31 int46 int64 KIND number = 4 6 8 digits = 31 46 63 radix = 2 2 2 range = 9 13 18 huge = 2147483647 70368744177663 9223372036854775807 bit_size = 32 46 46 REAL half Default,single double KIND ...

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• References
• Media types
• Different Fortran standards

ADF . ADF is the Amsterdam Density Functional program system for high-quality computational chemistry research. The two main programs are ADF, for molecules, and BAND for periodic structures: polymers, slabs, and crystals. Several smaller utility and property programs are available for pre- and post-processing data of the main calculations. ... Available Binary Packages: . ... None . ... User Comments: . ... SAL Home | Other Scientific Fields | Chemistry, Biology Related . ...

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• SAL- Numerical Analysis - Discrete Methods Related Tools - OOF
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• SAL- Other Scientific Fields - Chemistry, Biology Related - BIGMAC

Электронная библиотека Попечительского совета . ... Dykstra C.E. - AB Initio Calculation of the Structures and Properties of Molecules . ... Название: AB Initio Calculation of the Structures and Properties of Molecules . Автор: Dykstra C.E. Аннотация: . This book is intended as a guide to the ab initio calculation of molecular structure and properties. ... Электронная библиотека попечительского совета мехмата МГУ , 2004-2016 . ...

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Fourier and wavelet transforms. Properties and applications" . L.G. Vasil'eva, Ya.M. Zhileikin, and Yu.I. Osipik . A brief survey of merits and demerits of Fourier and wavelet transforms is given. Some properties of wavelet transforms and wavelet series are discussed. ... PostScript (in Russian) (90.3KB) . PDF (in Russian) (113KB) . PostScript. zip (in Russian) (30.9йB) . PDF. zip (in Russian) (41.1KB) . ...

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• "Calculations of equilibrium properties of quantum systems using the expanded
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• "Uniqueness theorems and properties of adjoint problems for a class of

... Files attached to a topic are displayed in a directory table, displayed at the bottom of the page, or optionally, hidden and accessed when you click Attach . ... Attachment . ... manage . ... 22 Jul 2000 - 19:37 . ... Topic attachments . ... Clicking on a Manage link takes you to a new page that looks a bit like this (depending on what skin is selected): . ... Local file . ... Link . ... Create a link to the attached file Images will be displayed, for other attachments a link will be created. ...

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• FileAttachment - TWiki - TWiki - (printable)
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Why are genome regulatory regions AT-enriched? Alexander A. Osypov Laboratory of Cell Genome Functioning, Institute of Cell Biophysics of RAS, 142290, Pushchino MR, Russia, aosypov@gmail.com Genome DNA physical properties define its shape in the functional space and influence its interactions with proteins, esp. for transcription regulation. ... Binding frequency of RNA polymerase to DNA along the genome, measured in direct experiment, correlates to the calculated electrostatic potential. ...

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• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/45.pdf

... The molecular structure of acetone-chloroform mixtures has been studied. ... A molecular model including the formation of the 1:1 and 1:2 molecular complexes is substantiated. ... The thermodynamic parameters of complex formation was defined by the minimization procedure for the excess Gibbs energy of mixtures was applied for calculation of excess enthalpy and entropy as well as dielectric and optical properties of mixtures. ...

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• On the Structure and Dielectric Properties of
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... The Science Operation Department is composed of Astronomers, Telescope Instruments Operators(TIOs) and Data Handling Administrators(DHAs). ... Astronomers have proposed several methods to quantitatively measure the amount of turbulence above the telescope, which the most common ones is Differential Image Motion Monitor (DIMM). In optical testing, the Hartmann test is the common method to test the quality of optical components. ... Hartmann mask consists of 48 lenses. ...

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• Timetable

PC GAMESS/Firefly TIME DEPENDENT DENSITY FUNCTIONAL THEORY MODULE $TDDFT group required when CITYP=TDDFT (note that CITYP=TDDFT requires DFTTYP to be set in $CONTRL) Current implementation allows the use of only R-DFT references, but can pick up both singlet and triplet excited states. ... The default for n is the number of chemical core orbitals. ... ALTER - flag to modify internal logic of Davidson diagonalization code to use dynamic number of trial vectors. ... PC GAMESS/Firefly' NBO code . ...

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• PC GAMESS/Firefly DOCUMENTATION - TDHF

PHP Manual . ... PHP 3 <= 3.0.18, PHP 4 >= 4.0.0) dir -- directory class . ... A pseudo-object oriented mechanism for reading a directory. ... Two properties are available once the directory has been opened. ... The path property is set to path the directory that was opened. Three methods are available: read, rewind and close. ... d = dir("/etc"); echo "Handle: ".$d->handle."<br>\n"; echo "Path: ".$d->path."<br>\n"; while (false !== ($entry = $d->read())) { echo $entry."<br>\n"; } $d->close(); . ...

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• Object property and method call overloading

О лаборатории . ... Лаборатория теоретической биофизики . ... This Python module parses Gaussian cube files, produced by quite a few QM software packages, and makes volume data available as numpy array as well as some associated properties. ... Нет комментариев " Gaussian Cube files loader " . ... 2011 ERG Research Group . ...

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• Peter Mamonov ERG Research Group: Лаборатория теоретической биофизики
• pymol ERG Research Group: Лаборатория теоретической биофизики
• toolset ERG Research Group: Лаборатория теоретической биофизики

Peremennye Zvezdy", . ... Max . Min . ... Data . ... max . ... 15.5 . ... min . Comm. 3 . ... MinII 15.6. ... NSVS 8710529. NSVS data confirms variability. ... NSVS 8710609. ... For V1219 Cyg (type IN, Hoffmeister, 1967) and NSVS 2122045+355634 (type L, Wozniak et al., 2004), our data is fully consistent with the existing classification, so we drop them from further consideration. ... Wozniak, P.R., Williams, S.J., Vestrand, W.T., Gupta, V., 2004, Astronomical Journal, 128, 2965 . ...

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... Ярмарка вакансий и стажировок для студентов и выпускников вузов . ... University of Groningen, The Netherlands . PhD Position available . ... PhD Position in Theoretical Chemistry . ... She is considered to be one of top 5 universities in Europe for research in Materials Science, Chemistry, Space Science, Microbiology, and Environment/Ecology. ... In 1993, the MSCplus was accredited by the Royal Netherlands Academy of Arts and Sciences (KNAW) as a leading Research School in Materials Science. ...

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... A Substantial Interpretation of N.A.Kozyrev's Conception of Time . ... The Fundamentals of N.A.Kozyrev's Causal Mechanics . ... The methodological principles of causal mechanics . ... The postulates of causal mechanics . ... Logic of Causal Mechanics: Observations-Theory-Experiments . ... Reasons of arising of the causal mechanics . ... Quantum-Mechanical Uncertainty Relations as a Consequence of the Postulates of N.A.Kozyrev's Causal Mechanics; Forces in Causal Mechanics . ...

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... Structure, properties, and probable physiological role of small heat shock protein with molecular mass 20 kD (Hsp20, HspB6). ... This review is devoted to critical analysis of data concerning the structure and functions of small heat shock proteins with apparent molecular mass 20 kD (Hsp20). We describe the structure of Hsp20, its phosphorylation by different protein kinases, interaction of Hsp20 with other small heat shock proteins, and chaperone activity of Hsp20. ...

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• Structure and properties of K141E mutant of small heat shock protein HSP22

... Managing user accounts . ... There are a few commands for changing various properties of an account (i.e., the relevant field in /etc/passwd ): . ... Change the full name field. chsh . ... The super-user may use these commands to change the properties of any account. Normal users can only change the properties of their own account. ... Other tasks need to be done by hand. ... The user's name might change due to marriage, for example, and he might want to have his username reflect his new name.} ...

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CalcHEP is a package for automatic calculations of elementary particle decay and collision properties in the lowest order of perturbation theory (the tree approximation). ... The CalcHEP package consists of two parts: symbolic and numerical ones. The symbolic part generats codes for a squared matrix element which are used in the numerical calculations. The symbolic part of CalcHEP lets the user: . ... convolute the squared matrix element with structure functions and beam spectra. ...

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• Lectures on Mellin-Barnes

... Zhang W.G., Ye Y.C., He L.J., Li P.J., Feng X., Novikov L.S. в журнале Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing , издательство Elsevier BV (Netherlands) , том 578, с. 35-45 DOI . ... Fadeeva V.I. , Leonov A.V. , Szewczak E. , Matyja H. в журнале Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing , издательство Elsevier BV (Netherlands) , том 242, ? ...

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