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DFT studies on hexaborate(2-) and heptaborate(2-) anions

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DFT studies on hexaborate(2-) and heptaborate(2-) anions. / Davies, Richard; Beckett, Michael; Jones, Charlotte.
In: Phosphorus, Sulfur and Silicon and the Related Elements, Vol. 191, No. 4, 01.04.2016, p. 633-637.

Research output: Contribution to journal › Article › peer-review

HarvardHarvard

Davies, R, Beckett, M & Jones, C 2016, 'DFT studies on hexaborate(2-) and heptaborate(2-) anions', Phosphorus, Sulfur and Silicon and the Related Elements, vol. 191, no. 4, pp. 633-637. https://doi.org/10.1080/10426507.2015.1128923

APA

Davies, R., Beckett, M., & Jones, C. (2016). DFT studies on hexaborate(2-) and heptaborate(2-) anions. Phosphorus, Sulfur and Silicon and the Related Elements, 191(4), 633-637. https://doi.org/10.1080/10426507.2015.1128923

CBE

Davies R, Beckett M, Jones C. 2016. DFT studies on hexaborate(2-) and heptaborate(2-) anions. Phosphorus, Sulfur and Silicon and the Related Elements. 191(4):633-637. https://doi.org/10.1080/10426507.2015.1128923

MLA

Davies, Richard, Michael Beckett, and Charlotte Jones. "DFT studies on hexaborate(2-) and heptaborate(2-) anions". Phosphorus, Sulfur and Silicon and the Related Elements. 2016, 191(4). 633-637. https://doi.org/10.1080/10426507.2015.1128923

VancouverVancouver

Davies R, Beckett M, Jones C. DFT studies on hexaborate(2-) and heptaborate(2-) anions. Phosphorus, Sulfur and Silicon and the Related Elements. 2016 Apr 1;191(4):633-637. Epub 2016 Feb 18. doi: 10.1080/10426507.2015.1128923

Author

Davies, Richard ; Beckett, Michael ; Jones, Charlotte. / DFT studies on hexaborate(2-) and heptaborate(2-) anions. In: Phosphorus, Sulfur and Silicon and the Related Elements. 2016 ; Vol. 191, No. 4. pp. 633-637.

RIS

TY - JOUR

T1 - DFT studies on hexaborate(2-) and heptaborate(2-) anions

AU - Davies, Richard

AU - Beckett, Michael

AU - Jones, Charlotte

PY - 2016/4/1

Y1 - 2016/4/1

N2 - Bond counting rules (BCR) allow chemists to unearth low-energy structures by sequentially sieving undesirable interactions whilst maximizing stabilizing interactions. The approach is applied to model hydrogen-bonding in polyborate anions.

AB - Bond counting rules (BCR) allow chemists to unearth low-energy structures by sequentially sieving undesirable interactions whilst maximizing stabilizing interactions. The approach is applied to model hydrogen-bonding in polyborate anions.

KW - Polyborate anions

KW - hydrogen bonding,

KW - DFT

KW - Hexoborate

KW - Heptaborate

U2 - 10.1080/10426507.2015.1128923

DO - 10.1080/10426507.2015.1128923

M3 - Article

VL - 191

SP - 633

EP - 637

JO - Phosphorus, Sulfur and Silicon and the Related Elements

JF - Phosphorus, Sulfur and Silicon and the Related Elements

SN - 1042-6507

IS - 4

ER -