19655844

Source:http://linkedlifedata.com/resource/pubmed/id/19655844

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Predicate	Object
rdf:type	pubmed:Citation
lifeskim:mentions	umls-concept:C0007961, umls-concept:C0026336, umls-concept:C0026339, umls-concept:C0678604, umls-concept:C0871161, umls-concept:C1546426, umls-concept:C1548280, umls-concept:C1706211, umls-concept:C2347858
pubmed:issue	4
pubmed:dateCreated	2009-8-6
pubmed:abstractText	An analytical solution of fluctuating-charge models using Gaussian elimination allows us to isolate the contribution of charge conservation effects in determining the charge distribution. We use this analytical solution to calculate dipole moments and polarizabilities and show that charge conservation plays a critical role in maintaining the correct translational invariance of the electrostatic properties predicted by these models.
pubmed:language	eng
pubmed:journal	http://linkedlifedata.com/resource/pubmed/journal/0375360
pubmed:status	PubMed-not-MEDLINE
pubmed:month	Jul
pubmed:issn	1089-7690
pubmed:author	pubmed-author:ChenJiahaoJ, pubmed-author:MartínezTodd JTJ
pubmed:issnType	Electronic
pubmed:day	28
pubmed:volume	131
pubmed:owner	NLM
pubmed:authorsComplete	Y
pubmed:pagination	044114
pubmed:year	2009
pubmed:articleTitle	Charge conservation in electronegativity equalization and its implications for the electrostatic properties of fluctuating-charge models.
pubmed:affiliation	Department of Chemistry and Frederick Seitz Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
pubmed:publicationType	Journal Article