Quantification of "fuzzy" chemical concepts: a computational perspective.

Quantification of "fuzzy" chemical concepts: a computational perspective.

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http://www.wikidata.org/entity/Q38015699
Theory and practice of uncommon molecular electronic configurationsConformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding.Nickel pincer model of the active site of lactate racemase involves ligand participation in hydride transfer.Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap.Fast and highly chemoselective alkynylation of thiols with hypervalent iodine reagents enabled through a low energy barrier concerted mechanism.Topology maps of bond descriptors based on the kinetic energy density and the essence of chemical bonding.A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers.Quantifying the nature of lone pair domains.The role of the long-range exchange corrections in the description of electron delocalization in aromatic species.Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution.Adjacent Lone Pair (ALP) Effect: A Computational Approach for Its Origin.Guidelines and diagnostics for charge carrier tuning in thiophene-based wires.Atomic charges for conformationally rich molecules obtained through a modified principal component regression.Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory.Is the R3 Si Moiety in Metal-Silyl Complexes a Z ligand? An Answer from the Interaction Energy.A projection-free method for representing plane-wave DFT results in an atom-centered basis.Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state
P2860

Quantification of "fuzzy" chemical concepts: a computational perspective.

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http://www.wikidata.org/entity/Q38015699
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article científic
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article scientifique
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articol științific
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articolo scientifico
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artigo científico
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artigo científico
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artigo científico
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artikel ilmiah
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artículo científico
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name
Quantification of "fuzzy" chemical concepts: a computational perspective.
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type
label
Quantification of "fuzzy" chemical concepts: a computational perspective.
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prefLabel
Quantification of "fuzzy" chemical concepts: a computational perspective.
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Quantification of "fuzzy" chemical concepts: a computational perspective.
@en
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698