@comment{

Adapted from biblatex-example.bib

Formatted with pandoc and chicago-author-date.csl, 2013-10-23:

(Sigfridsson and Ryde 1998)

Sigfridsson, Emma, and Ulf Ryde. 1998. “Comparison of Methods for
Deriving Atomic Charges from the Electrostatic Potential and Moments.”
*Journal of Computational Chemistry* 19 (4): 377–395.
doi:[10.1002/(SICI)1096-987X(199803)19:4\<377::AID-JCC1\>3.0.CO;2-P](http://doi.org/10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P "10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P").


Formatted with pandoc and apa.csl, 2013-10-23:

(Sigfridsson & Ryde, 1998)

Sigfridsson, E., & Ryde, U. (1998). Comparison of methods for deriving
atomic charges from the electrostatic potential and moments. *Journal of
Computational Chemistry*, *19*(4), 377–395.
doi:[10.1002/(SICI)1096-987X(199803)19:4\<377::AID-JCC1\>3.0.CO;2-P](http://doi.org/10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P "10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P")


NOTES:

- biblio2xaml
	- the string "doi:" should not appear as part of the content of the "doi" field 

}

@Article{sigfridsson,
  author       = {Sigfridsson, Emma and Ryde, Ulf},
  title        = {Comparison of methods for deriving atomic charges from the
                  electrostatic potential and moments},
  journaltitle = {Journal of Computational Chemistry},
  date         = 1998,
  volume       = 19,
  number       = 4,
  pages        = {377-395},
  doi          = {10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P},
  hyphenation  = {american},
  indextitle   = {Methods for deriving atomic charges},
  annotation   = {An article entry with volume,
                  number, and doi fields. Note that the
                  \textsc{doi} is transformed into a clickable link if
                  hyperref support has been enabled},
  abstract     = {Four methods for deriving partial atomic charges from the
                  quantum chemical electrostatic potential (CHELP, CHELPG,
                  Merz-Kollman, and RESP) have been compared and critically
                  evaluated. It is shown that charges strongly depend on how and
                  where the potential points are selected. Two alternative
                  methods are suggested to avoid the arbitrariness in the
                  point-selection schemes and van der Waals exclusion radii:
                  CHELP-BOW, which also estimates the charges from the
                  electrostatic potential, but with potential points that are
                  Boltzmann-weighted after their occurrence in actual
                  simulations using the energy function of the program in which
                  the charges will be used, and CHELMO, which estimates the
                  charges directly from the electrostatic multipole
                  moments. Different criteria for the quality of the charges are
                  discussed.},
}

---
references:
- id: sigfridsson
  type: article-journal
  author:
  - family: Sigfridsson
    given: Emma
  - family: Ryde
    given: Ulf
  issued:
  - year: '1998'
  title: Comparison of methods for deriving atomic charges from the electrostatic
    potential and moments
  container-title: Journal of Computational Chemistry
  page: '377-395'
  volume: '19'
  issue: '4'
  annote: An article entry with volume, number, and doi fields. Note that the <span
    style="font-variant:small-caps;">doi</span> is transformed into a clickable link
    if hyperref support has been enabled
  abstract: 'Four methods for deriving partial atomic charges from the quantum chemical
    electrostatic potential (CHELP, CHELPG, Merz-Kollman, and RESP) have been compared
    and critically evaluated. It is shown that charges strongly depend on how and
    where the potential points are selected. Two alternative methods are suggested
    to avoid the arbitrariness in the point-selection schemes and van der Waals exclusion
    radii: CHELP-BOW, which also estimates the charges from the electrostatic potential,
    but with potential points that are Boltzmann-weighted after their occurrence in
    actual simulations using the energy function of the program in which the charges
    will be used, and CHELMO, which estimates the charges directly from the electrostatic
    multipole moments. Different criteria for the quality of the charges are discussed.'
  DOI: 10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P
  language: en-US
...
