(Q53898283)

22 May 2018

title

Meaningful structural descriptors from charge density. (English)

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22 May 2018

Dietmar Stalke

1

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language of work or name

English

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publication date

29 June 2011

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22 May 2018

Chemistry—A European Journal

published in

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22 May 2018

volume

17

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22 May 2018

issue

34

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22 May 2018

page(s)

9264-9278

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22 May 2018

Chemical applications of X-ray charge-density analysis

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Charge densities come of age.

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THE NATURE OF THE CHEMICAL BOND. III. THE TRANSITION FROM ONE EXTREME BOND TYPE TO ANOTHER

21 January 2018

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The Reflection of X-rays by Crystals

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A short history of SHELX

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Main-group elements as transition metals.

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Roothaan-Hartree-Fock atomic wavefunctions

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Structure/reactivity studies on an alpha-lithiated benzylsilane: chemical interpretation of experimental charge density

21 January 2018

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Hydrogen–Hydrogen Bonding: A Stabilizing Interaction in Molecules and Crystals

21 January 2018

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Topological analysis of electron densities: is the presence of an atomic interaction line in an equilibrium geometry a sufficient condition for the existence of a chemical bond?

21 January 2018

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Bond paths are not chemical bonds

21 January 2018

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Chemical bonding in view of electron charge density and kinetic energy density descriptors.

21 January 2018

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Comparative analysis of electron-density and electron-localization function for dinuclear manganese complexes with bridging boron- and carbon-centered ligands

21 January 2018

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The charge density distribution in a model compound of the catalytic triad in serine proteases

21 January 2018

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Atomic properties of N(2)O(4) based on its experimental charge density.

21 January 2018

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Core Distortions and Geometries of the Difluorides and Dihydrides of Ca, Sr, and Ba

21 January 2018

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THE ATOM AND THE MOLECULE

21 January 2018

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The octet rule and hypervalence: two misunderstood concepts

21 January 2018

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Chemical bonding in hypervalent molecules: is the octet rule relevant?

21 January 2018

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Chemical Bonding in Higher Main Group Elements

21 January 2018

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No d Orbitals but Walsh Diagrams and Maybe Banana Bonds: Chemical Bonding in Phosphines, Phosphine Oxides, and Phosphonium Ylides

21 January 2018

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How relevant are S=O and P=O Double Bonds for the Description of the Acid Molecules H2SO3, H2SO4, and H3PO4, respectively?

21 January 2018

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(MeLi)4(dem)1.5]infinity] and [(thf)3Li3M3[(NtBu)3S--how to reduce aggregation of parent methyllithium.

21 January 2018

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The inverse podant [Li3(NBut)3S)]+ stabilises a single ethylene oxide OCH=CH2 anion as a high- and low-temperature polymorph of [(thf)3Li3(OCH=CH2)(NBut)3S)].

21 January 2018

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Covalency in Highly Polar Bonds. Structure and Bonding of Methylalkalimetal Oligomers (CH3M)n(M = Li−Rb;n= 1, 4)

21 January 2018

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Carbanion or amide? First charge density study of parent 2-picolyllithium

21 January 2018

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Pentafluorophenylboranes: from obscurity to applications

21 January 2018

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Catalytic Abilities of [(C6F5)2BR] (R=NC4H4 and NC4H8) deduced from experimental and theoretical charge-density investigations

21 January 2018

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Interacting Quantum Atoms: A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in Molecules.

21 January 2018

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Testing aspherical atom refinements on small-molecule data sets

21 January 2018

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Chemical bonding in hypervalent molecules. The dominance of ionic bonding and negative hyperconjugation over d-orbital participation

21 January 2018

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Chemical Bonding in Hypervalent Molecules Revised. Application of theAtoms in MoleculesTheoryto Y3X and Y3XZ (Y = H or CH3; X = N, P or As; Z = O or S) Compounds

21 January 2018

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Frustrated Lewis Pairs: Metal-free Hydrogen Activation and More

21 January 2018

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Chemical bonding in crystals: new directions

21 January 2018

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Bond Paths as Privileged Exchange Channels

21 January 2018

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A Green's function for the density

21 January 2018

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Chemical information from the source function

21 January 2018

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The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions

21 January 2018

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Source function description of metal–metal bonding in d-block organometallic compounds

21 January 2018

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Was Chemiker aus der Elektronendichte lernen

21 January 2018

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Chemical interpretation of molecular electron density distributions

21 January 2018

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Elektronendichteuntersuchung der Metall-Metall-Bindung im zweikernigen “Borylen”-Komplex [{Cp(CO)2Mn}2(μ-BtBu)]

21 January 2018

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Electron-Density Investigation of Metal–Metal Bonding in the Dinuclear “Borylene” Complex [{Cp(CO)2Mn}2(μ-BtBu)]

21 January 2018

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An Unexpected, Sterically Driven, Methyl Halide Elimination in Pentacoordinate Siliconium Halide Salts: Silicon Complexes with Equatorial Nitrogen Coordination

21 January 2018

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Si−E (E = N, O, F) Bonding in a Hexacoordinated Silicon Complex: New Facts from Experimental and Theoretical Charge Density Studies

21 January 2018

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Metal Coordination to the Formal PN Bond of an Iminophosphorane and Charge-Density Evidence against Hypervalent Phosphorus(V)

21 January 2018

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Experimental Charge Density Studies of Cyclotetrasilazane and Metal Complexes Containing the Di- and Tetraanion

21 January 2018

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WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density

21 January 2018

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[(thf)Li2{H2CS(NtBu)2}]2: Synthesis, Polymorphism, and Experimental Charge Density to Elucidate the Bonding Properties of a Lithium Sulfur Ylide

21 January 2018

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[S(NtBu)3]2− – ein zum Sulfit-Ion isoelektronisches, zum Radikalanion oxidierbares, kappenförmiges Dianion

21 January 2018

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[S(NtBu)3]2−—A Cap-Shaped Dianion, Isoelectronic with the Sulfite Ion and Oxidizable to a Stable Radical Anion

21 January 2018

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S(NtBu)42−, ein zum SO42−-Ion isoelektronisches Dianion, und das verwandte MeS(NtBu)3−-Ion

21 January 2018

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S(NtBu)42−: A Dianion Isoelectronic to SO42− and the Related MeS(NtBu)3−

21 January 2018

1 reference

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Copper and Silver Triimidosulfites: S(NtBu)32--Bicapped M3-Triangles Connected via Lithium Halide Ladders or Fragments Thereof

21 January 2018

1 reference

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Syntheses and Structures of Main Group Metal Complexes of the S(NtBu)32-Dianion, an Inorganic Y-Conjugated Tripod

21 January 2018

1 reference

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Lead Structures in Lithium Organic Chemistry

21 January 2018

1 reference

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Carbanion oder Amid? Elektronendichteuntersuchung am 2-Picolyllithium-Stammsystem

21 January 2018

1 reference

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Lithium- and dimethylaluminium-di-2-pyridyl-phosphides: the first metal diorganophosphides without a metal–phosphorus bond within a contact ion pair

21 January 2018

1 reference

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Bis(2-pyridyl)phosphides and -arsenides of Group 13 Metals: Substituent-Separated Contact Ion Pairs

21 January 2018

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Phosphane- and phosphorane Janus Head ligands in metal coordination

21 January 2018

1 reference

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Umlagerung und selektive Transmetallierung von Bis(pyridyl)methyllithium

21 January 2018

1 reference

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Rearrangement and Selective Transmetalation of Bis(pyridyl)methyllithium

21 January 2018

1 reference

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Coordination of the Bis(pyridyl)methyl Substituent to Group 1 and 13 Metals

21 January 2018

1 reference

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Phosphorus-Based Ambidentate Chelating Ligands: Pyridyl-N− and Imido-N−Metal Coordination in the Py2P(NSiMe3)2Anion

21 January 2018

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Elektronendichteverteilung in einem Metallaphosphan

21 January 2018

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Charge Density Distribution in a Metallaphosphane

21 January 2018

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The P(bth)2−anion as a Janus head staple between lithium and manganese (bth = benzothiazol-2-yl, C7H4NS)

21 January 2018

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Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes and a Mixed-Metal 1,3-Stanna−Plumbacyclobutane

21 January 2018

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Short Strong Hydrogen Bonds in 2-Acetyl-1,8-dihydroxy-3,6-dimethylnaphthalene: An Outlier to Current Hydrogen Bonding Theory?

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21 January 2018

Identifiers

DOI

10.1002/CHEM.201100615

1 reference

22 May 2018

release_5zxhxujy2jd7tgnp6wor2sjexi

Fatcat ID

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Fatcat

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24 November 2022

based on heuristic

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22 May 2018