Titlebook: Electron Density and Chemical Bonding II; Theoretical Charge D Dietmar Stalke Book 2012 Springer-Verlag Berlin Heidelberg 2012

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書目名稱Electron Density and Chemical Bonding II影響因子(影響力)

書目名稱Electron Density and Chemical Bonding II影響因子(影響力)學科排名

書目名稱Electron Density and Chemical Bonding II網絡公開度

書目名稱Electron Density and Chemical Bonding II網絡公開度學科排名

書目名稱Electron Density and Chemical Bonding II被引頻次

書目名稱Electron Density and Chemical Bonding II被引頻次學科排名

書目名稱Electron Density and Chemical Bonding II年度引用

書目名稱Electron Density and Chemical Bonding II年度引用學科排名

書目名稱Electron Density and Chemical Bonding II讀者反饋

書目名稱Electron Density and Chemical Bonding II讀者反饋學科排名

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Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an Ifraction data. Recommendations for practical modeling choices are given when using the Hansen/Coppens multipole model. Multipole-model results, including those from invariom refinement, are found to be less accurate than results from a basis-set description. The question whether a molecular dipole-m

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Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment,ses EDs measured at hand of crystals of a given ligand to predict its pharmaceutical properties. This comprises for example the questions if the ligand fits into the active center of an enzyme and how strong it binds to this active side. This widely used approximation strongly rely on the assumption

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The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experscriptor is defined and what it physically represents, the various forms through which the SF may be analyzed are presented in some detail. The relationships between atomic SF contributions and chemical bond nature are analyzed in some prototypical cases, and the capability of the SF to neatly revea

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Book 2012easurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.-.B. Engels, Th. C. Schmidt, C. Gatti, T. Schirmeister, R.F. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.-.S. Fux, M. Reiher: El

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