Literature DB >> 16187393

Charge densities come of age.

Philip Coppens1.   

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Year:  2005        PMID： 16187393     DOI： 10.1002/anie.200501734

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  8 in total

1.  Charge-shift bonding and its manifestations in chemistry.

Authors:  Sason Shaik; David Danovich; Wei Wu; Philippe C Hiberty
Journal:  Nat Chem       Date:  2009-08-24       Impact factor: 24.427

2.  Dipole preserving and polarization consistent charges.

Authors:  Peng Zhang; Peng Bao; Jiali Gao
Journal:  J Comput Chem       Date:  2011-05-03       Impact factor: 3.376

3.  lamaGOET: an interface for quantum crystallography.

Authors:  Lorraine A Malaspina; Alessandro Genoni; Simon Grabowsky
Journal:  J Appl Crystallogr       Date:  2021-04-16       Impact factor: 3.304

4.  Validation of experimental charge-density refinement strategies: when do we overfit?

Authors:  Lennard Krause; Benedikt Niepötter; Christian J Schürmann; Dietmar Stalke; Regine Herbst-Irmer
Journal:  IUCrJ       Date:  2017-05-24       Impact factor: 4.769

5.  Transferable Machine-Learning Model of the Electron Density.

Authors:  Andrea Grisafi; Alberto Fabrizio; Benjamin Meyer; David M Wilkins; Clemence Corminboeuf; Michele Ceriotti
Journal:  ACS Cent Sci       Date:  2018-12-26       Impact factor: 14.553

6.  New Insights into the Catalytic Activity of Cobalt Orthophosphate Co3 (PO4 )2 from Charge Density Analysis.

Authors:  Helena Keil; Matti Hellström; Claudia Stückl; Regine Herbst-Irmer; Jörg Behler; Dietmar Stalke
Journal:  Chemistry       Date:  2019-11-08       Impact factor: 5.236

7.  Polarizable atomic multipole X-ray refinement: application to peptide crystals.

Authors:  Michael J Schnieders; Timothy D Fenn; Vijay S Pande; Axel T Brunger
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-08-14

Review 8.  Contributions of charge-density research to medicinal chemistry.

Authors:  Birger Dittrich; Chérif F Matta
Journal:  IUCrJ       Date:  2014-09-23       Impact factor: 4.769
  8 in total

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