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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Ссылки http://classic.chem.msu.su/gran/gamess/mcqdpt-vs-xmcqdpt-in-O3.pdf -- 362.8 Кб -- 04.03.2009 Похожие документы
usr/bin/perl # программа для генерации картинки с погодными данными # с кисловодской станции для сайта http://observ.pereplet.ru/ use GD; use LWP::Simple; use Date ::Manip; use lib '/home/rel/ivan/nasa/MIME-Lite-3.01/blib/lib/'; use MIME::Lite; use strict; $SIG{ALRM}= sub{die timeout }; my ($ date ,@d,$x1,$y1,$im,$tmp,@m,$byte,$ SkyTem ,$ SenTem ,$ AmbTem ,$ ...
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MGU Botanic Garden . SCHEDULE OF EXCURSIONS FOR INDIVIDUAL VISITORS . If you want to express your opinion about our excursions or suggest any proposals and make remarks, write us at otzyv_botsad@mail.ru . ... The excursion bureau of the MSU Botanical Gardens invites in May-October schoolchildren, students and anyone wishing to admire the open air collections and listen to the captivating stories about plants. ... Plant taxonomy (for schoolchildren and university students) . ...
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О лаборатории . ... Лаборатория теоретической биофизики . ... This small program named TRAX is capable of solving systems of ordinary differential equations and plotting the solution on a phase plane as well as function of time. ... 1 комментарий " Phase plane explorer " . ... OPLS-AA patch for different types of molecules . ... All-atom automatic OPLS-AA topology generator . ... OPLS-AA? in All-atom automatic OPLS-AA topology? ... 2012 ERG Research Group . ...
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... It is possible to direct the immune system to attack cancer cells. This can be done because of the presence of foreign proteins inside cancer cells. ... Mutation density in cancer cells The chance of finding an immunogenic peptide among all neutral foreign peptides for a mutation-rich cancer is higher than that for a cancer with fewer mutations. ... The final step is the CD8+ cell that kills the cells showing foreign peptides on their surface. ... Calculate the processing score for each peptide. ...
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Ссылки http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/115.pdf -- 220.9 Кб -- 15.06.2015 Похожие документы
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... MSU Chamber Orchestra . The Alia . This page contains information about the musicians who have played in our orchestra (see "members" for the current season team). Unfortunately, we have no pictures of all the people who played in the orchestra, and the available photos differ significantly in their quality. ... violini II) . ... viole) . Elena . ... violini I and II) . ... Natalia . ... violini I and II, viole) . ... celli) . ... Julia . ... violini I, viole) . ...
... Separation of all runs on several groups by mean active sectors. ... Ways to carry out step 2: trying to cut off all points which don't reach the fit line with errors. Ways to carry out step 2: mean active sectors selection Ways to carry out step 2: results of mean active sectors selection by example of set 2 Failing of mean active sector selection method on example of set 3: one point is still on the graph Introduction of new distance parameter How to find an optimal distance parameter? ...
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