Art

J-GLOBAL ID：201902249009991591   Reference number：19A2649029

The Electron Density Distribution in Crystals of η⁶-[1,4-dihydrospiro(2H-3,1-benzoxazine-2,1′-cyclohexane)]tricarbonylchromium(0): Experiment vs Molecular Invariom

η~6-[1,4-ジヒドロスピロ(2H-3,1-ベンゾキサジン-2,1′-シクロヘキサン)]トリカルボニルクロム(0)の結晶におけるElectron密度分布 実験対分子インバリーム【JST・京大機械翻訳】

Author (6)： Fukin Georgy K. (G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, Tropinina str., 49, Nizhny, Novgorod, 603137, Russian Federation) ,  Cherkasov Anton V. (G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, Tropinina str., 49, Nizhny, Novgorod, 603137, Russian Federation) ,  Baranov Evgeny V. (G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, Tropinina str., 49, Nizhny, Novgorod, 603137, Russian Federation) ,  Rumyantcev Roman V. (G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, Tropinina str., 49, Nizhny, Novgorod, 603137, Russian Federation) ,  Sazonova Elena V. (Chemical Department, Lobachevsky State University of Nizhny Novgorod, Gagarina Pr., 23, Nizhny, Novgorod, 603950, Russian Federation) ,  Artemov Alexander N. (Chemical Department, Lobachevsky State University of Nizhny Novgorod, Gagarina Pr., 23, Nizhny, Novgorod, 603950, Russian Federation)
Material： Chemistryselect
Volume： 4  Issue： 37  Page： 10976-10982  Publication year： 2019 
JST Material Number： W2528A  ISSN： 2365-6549  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： In this paper we present the r...

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Thesaurus term： *density distribution ,  quantum theory ,  puree ,  high-resolution ,  interaction ,  electric charge ,  topology ,  electron density ,  invariance ,  X-ray diffraction ,  *chromium
Semi thesaurus term： d軌道 ,  分子グラフ ,  電荷密度 ,  単結晶X線回折 , 【Automatic Indexing@JST】

Author keywords (7)： Density functional calculations ,  d-orbital population ,  ED topology ,  Molecular invariom ,  NCI index ,  Source function ,  X-ray diffraction

JST classification (2)： Gevmetry of molecules in general  (BH05021S) ,  Electronic structure of molecules  (BH05010Q)

Terms in the title (5)： シクロヘキサン ,  結晶 ,  密度分布 ,  実験 ,  分子