-
Something wrong with this record ?
Bond indices in solids: extended analytical model
R. Ponec,
Language English Country United States
Document type Journal Article, Research Support, Non-U.S. Gov't
PubMed
21823136
DOI
10.1002/jcc.21898
Knihovny.cz E-resources
- MeSH
- Algorithms MeSH
- Models, Chemical MeSH
- Electrons MeSH
- Quantum Theory MeSH
- Lithium chemistry MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
The analytical model suggested some time ago for the calculation of bond indices in infinite periodical structures was reconsidered and extended so as to provide not only realistic estimate of the extent of electron sharing localized among individual pairs of the atoms in the lattice but also to detect the eventual presence of multicenter bonding in metallic solids.
References provided by Crossref.org
- 000
- 00000naa a2200000 a 4500
- 001
- bmc12022366
- 003
- CZ-PrNML
- 005
- 20170410095446.0
- 007
- ta
- 008
- 120806s2011 xxu f 000 0#eng||
- 009
- AR
- 024 7_
- $a 10.1002/jcc.21898 $2 doi
- 035 __
- $a (PubMed)21823136
- 040 __
- $a ABA008 $b cze $d ABA008 $e AACR2
- 041 0_
- $a eng
- 044 __
- $a xxu
- 100 1_
- $a Ponec, Robert $u Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic v.v.i., Prague 6, Suchdol 2, 165 02, Czech Republic. rponec@icpf.cas.cz
- 245 10
- $a Bond indices in solids: extended analytical model / $c R. Ponec,
- 520 9_
- $a The analytical model suggested some time ago for the calculation of bond indices in infinite periodical structures was reconsidered and extended so as to provide not only realistic estimate of the extent of electron sharing localized among individual pairs of the atoms in the lattice but also to detect the eventual presence of multicenter bonding in metallic solids.
- 650 _2
- $a algoritmy $7 D000465
- 650 _2
- $a elektrony $7 D004583
- 650 _2
- $a lithium $x chemie $7 D008094
- 650 _2
- $a chemické modely $7 D008956
- 650 _2
- $a kvantová teorie $7 D011789
- 655 _2
- $a časopisecké články $7 D016428
- 655 _2
- $a práce podpořená grantem $7 D013485
- 773 0_
- $w MED00006597 $t Journal of computational chemistry $x 1096-987X $g Roč. 32, č. 14 (2011), s. 3114-3121
- 856 41
- $u https://pubmed.ncbi.nlm.nih.gov/21823136 $y Pubmed
- 910 __
- $a ABA008 $b sig $c sign $y m $z 0
- 990 __
- $a 20120806 $b ABA008
- 991 __
- $a 20170410095743 $b ABA008
- 999 __
- $a ok $b bmc $g 944279 $s 779663
- BAS __
- $a 3
- BAS __
- $a PreBMC
- BMC __
- $a 2011 $b 32 $c 14 $d 3114-3121 $e 20110808 $i 1096-987X $m Journal of computational chemistry $n J Comput Chem $x MED00006597
- LZP __
- $a Pubmed-20120806/12/01
