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diff --git a/test/command/biblatex-sigfridsson.md b/test/command/biblatex-sigfridsson.md new file mode 100644 index 000000000..47e674f5c --- /dev/null +++ b/test/command/biblatex-sigfridsson.md @@ -0,0 +1,106 @@ +``` +% pandoc -f biblatex -t markdown -s +@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](https://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](https://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.}, +} + +^D +--- +nocite: '[@*]' +references: +- 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.' + annote: 'An article entry with volume, number, and doi fields. Note + that the [doi]{.smallcaps} is transformed into a clickable link if + hyperref support has been enabled' + author: + - family: Sigfridsson + given: Emma + - family: Ryde + given: Ulf + container-title: Journal of Computational Chemistry + doi: '10.1002/(SICI)1096-987X(199803)19:4\<377::AID-JCC1\>3.0.CO;2-P' + id: sigfridsson + issue: 4 + issued: 1998 + language: 'en-US' + page: '377-395' + title: Comparison of methods for deriving atomic charges from the + electrostatic potential and moments + type: 'article-journal' + volume: 19 +--- + + +``` |