About: The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking

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scientific article published in April 2005

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description	videnskabelig artikel (da) article científic (ca) article scientific (oc) articol științific (ro) articolo scientifico (it) artigo científico (gl) artigo científico (pt) artigo científico (pt-br) artikull shkencor (sq) artikulong pang-agham (tl) artykuł naukowy (pl) bilimsel makale (tr) scienca artikolo (eo) teaduslik artikkel (et) tieteellinen artikkeli (fi) tudományos cikk (hu) vedecký článok (sk) vetenskaplig artikel (sv) vitenskapelig artikkel (nb) vitskapeleg artikkel (nn) vědecký článek (cs) wetenschappelijk artikel (nl) wissenschaftlicher Artikel (de) επιστημονικό άρθρο (el) научна статия (bg) научная статья (ru) научни чланак (sr) מאמר מדעי (he) სამეცნიერო სტატია (ka) บทความทางวิทยาศาสตร์ (th) artikel ilmiah (id) bài báo khoa học (vi) naučni članak (sr-el) мақолаи илмӣ (tg-cyrl) научни чланак (sr-ec) article scientifique (fr) наукова стаття, опублікована у квітні 2005 (uk) 2005 nî lūn-bûn (nan) 2005年の論文 (ja) 2005년 논문 (ko) artículo científico publicado en 2005 (es) artículu científicu espublizáu en 2005 (ast) 2005年学术文章 (zh-cn) 2005年学术文章 (zh-sg) 2005年学术文章 (zh-hans) 2005年学术文章 (wuu) 2005年学术文章 (zh-my) 2005年學術文章 (zh-hk) 2005年學術文章 (zh-tw) 2005年學術文章 (zh-hant) 2005年學術文章 (yue) 2005年學術文章 (zh-mo) scientific article published in April 2005 (en-ca) scientific article published in April 2005 (en-gb) 2005年学术文章 (zh) scientific article published in April 2005 (en) مقالة علمية نشرت في أبريل 2005 (ar) এপ্রিল ২০০৫-এ প্রকাশিত বৈজ্ঞানিক নিবন্ধ (bn) գիտական հոդված հրատարակված 2005 թվականի ապրիլին (hy)
publication date	wds:Q43269828-774CCA27-6AF5-4ABD-BA6C-2682A57C11CF
publication date	2005-04-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q43269828-F976177D-88E3-456C-BA38-7A1A2AD67C2A
language of work or name	English
cites work	wds:Q43269828-129F1F32-5846-4019-BD97-FEF98F11B16B wds:Q43269828-2CB7A046-F110-4EA1-812D-9FA6E39A7FF2 wds:Q43269828-3BE9FD32-1B82-499D-B423-EFA9C699751C wds:Q43269828-3E685936-19E5-4434-A365-52897492F901 wds:Q43269828-418C9842-630D-4125-9432-B9159F334762 wds:Q43269828-66CCD4CE-D1C1-4D8D-ABF7-B501E506E951 wds:Q43269828-769902BB-D432-4FEF-9887-C30048C4965A wds:Q43269828-918627E7-8848-46BC-8FE1-DF8A2A8A133F wds:Q43269828-94F643F8-FA43-481E-A382-5235D18130AD wds:Q43269828-BC85123B-333C-4052-9727-D18B994DDDFA wds:Q43269828-E8774981-AAF8-4BE5-A081-98F4004333AE
cites work	Molecular Interactions of Nucleic Acid Bases. A Review of Quantum-Chemical Studies Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Density-functional thermochemistry. III. The role of exact exchange Generalized Gradient Approximation Made Simple Accurate description of van der Waals complexes by density functional theory including empirical corrections From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: NonempiricalAb InitioCalculations Unexpectedly strong energy stabilization inside the hydrophobic core of small protein rubredoxin mediated by aromatic residues: correlated ab initio quantum chemical calculations Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison w Density functional theory and molecular clusters
author name string	wds:Q43269828-E5D2490D-6E0F-4C14-8383-BFEC44B3EC30
author name string	Jirí Cerný
rdfs:label	The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (en) The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (nl)
skos:prefLabel	The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (en) The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (nl)
name	The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (en) The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (nl)
author	wds:Q43269828-0263D3C2-2E70-4E00-A76E-CFCE31D807D6
author	Pavel Hobza
title	wds:Q43269828-A982C178-818A-4E32-8C5A-339894896972
title	The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking (en)
page(s)	wds:Q43269828-5A4A2324-02DD-4068-937B-D5F1C8C52C21
page(s)	1624-1626

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