Literature DB >> 31065504

Does the Intra-atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?

Benjamin C B Symons1,2, Dominic J Williamson1,2, Campbell M Brooks1,2, Alex L Wilson1,2, Paul L A Popelier1,2.   

Abstract

Invited for this month's cover picture is the group of Paul L. A. Popelier from Manchester Institute of Biotechnology (UK). The cover picture shows the quantum topological atoms in a configuration of the complex HF⋅⋅⋅OH2, where F is green and O is red. Read the full text of their Full Paper at 10.1002/open.201800275.

Entities:  

Year:  2019        PMID: 31065504      PMCID: PMC6496849          DOI: 10.1002/open.201900096

Source DB:  PubMed          Journal:  ChemistryOpen        ISSN: 2191-1363            Impact factor:   2.911


  1 in total

1.  Exponential Relationships Capturing Atomistic Short-Range Repulsion from the Interacting Quantum Atoms (IQA) Method.

Authors:  Alex L Wilson; Paul L A Popelier
Journal:  J Phys Chem A       Date:  2016-11-29       Impact factor: 2.781

  1 in total

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