Literature DB >> 16686473

An experimentalist's reply to "What is an atom in a molecule?".

Chérif F Matta1, Richard F W Bader.   

Abstract

Parr, Ayers and Nalewajski have opined in this Journal that the concept of an atom in a molecule "is an object knowable by the mind or intellect, not by the senses." This view is countered by the two hundred years of experimental chemistry underlying the realization that the properties of some total system are the sum of its atomic contributions. This paper concludes that an experimentalist has no doubt but that he or she is measuring the properties of atoms when performing an experiment.

Year:  2006        PMID: 16686473     DOI: 10.1021/jp060761+

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  6 in total

1.  Using the general-purpose reactivity indicator: challenging examples.

Authors:  James S M Anderson; Junia Melin; Paul W Ayers
Journal:  J Mol Model       Date:  2016-02-16       Impact factor: 1.810

2.  X-ray emission spectroscopy.

Authors:  Uwe Bergmann; Pieter Glatzel
Journal:  Photosynth Res       Date:  2009 Nov-Dec       Impact factor: 3.573

3.  Seven confluence principles: a case study of standardized statistical analysis for 26 methods that assign net atomic charges in molecules.

Authors:  Thomas A Manz
Journal:  RSC Adv       Date:  2020-12-15       Impact factor: 4.036

4.  Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.

Authors:  Chérif F Matta
Journal:  J Comput Chem       Date:  2014-04-29       Impact factor: 3.376

5.  A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO.

Authors:  Joseph D Larkin; Krishna L Bhat; George D Markham; Tony D James; Bernard R Brooks; Charles W Bock
Journal:  J Phys Chem A       Date:  2008-08-15       Impact factor: 2.781

6.  The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees.

Authors:  Minsik Cho; Nitai Sylvetsky; Sarah Eshafi; Golokesh Santra; Irena Efremenko; Jan M L Martin
Journal:  Chemphyschem       Date:  2020-03-23       Impact factor: 3.102

  6 in total

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