<< Back to the MN database main page

MGNHBL11

Main Group Non-Hydrogenic Bond Lengths

The data of this database are calculated at the optimized geometry for each method.
The input files are available to download below:

  >> g09 inputs <<

For published work employing this database, please cite at least one of these articles:
Peverati, R.; Truhlar, D. G. J. Chem. Theory Comput. 2012, 8, 2310-2319.
and/or
Peverati, R.; Truhlar, D. G. Phil. Trans. Royal Soc. A 2012, Submitted.
The submitted version of this article is available as a pre-print online following the link below, and can be cited using the arXiv citation format:
Peverati, R.; Truhlar, D. G. arXiv:1212.0944 [physics.chem-ph]

We note that the databases in these articles build on earlier work, which may also be cited when appropriate:
Zhao, Y.; Truhlar, D. G. J. Chem. Phys. 2008, 128, 184109.

Bond Length: REF
(Angstrom)
1CO1.128
2N21.098
3F21.412
4C2H2C-C1.203
5HCNC-N1.153
6H2COC-O1.203
7CO21.160
8N2ON-N1.128
9N-O1.184
10Cl21.988
11MgS2.143

Subsets: