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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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Ссылки http://classic.chem.msu.su/gran/gamess/mcqdpt-vs-xmcqdpt-in-O3.pdf -- 362.8 Кб -- 04.03.2009 Похожие документы
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Ссылки http://www.antropos.msu.ru/vestnic/pravila_eng.doc -- 35.0 Кб -- 08.04.2015
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Ссылки http://www.anthropos.msu.ru/vestnic/pravila_eng.doc -- 35.0 Кб -- 08.04.2015 Похожие документы
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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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