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typeable/pandoc/test/command/biblatex-sigfridsson.md
106 lines 4.5 kB history raw
1```
2% pandoc -f biblatex -t markdown -s
3@comment{
5Adapted from biblatex-example.bib
7Formatted with pandoc and chicago-author-date.csl, 2013-10-23:
9(Sigfridsson and Ryde 1998)
11Sigfridsson, Emma, and Ulf Ryde. 1998. “Comparison of Methods for
12Deriving Atomic Charges from the Electrostatic Potential and Moments.”
13*Journal of Computational Chemistry* 19 (4): 377–395.
14doi:[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").
17Formatted with pandoc and apa.csl, 2013-10-23:
19(Sigfridsson & Ryde, 1998)
21Sigfridsson, E., & Ryde, U. (1998). Comparison of methods for deriving
22atomic charges from the electrostatic potential and moments. *Journal of
23Computational Chemistry*, *19*(4), 377–395.
24doi:[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")
27NOTES:
29- biblio2xaml
30 - the string "doi:" should not appear as part of the content of the "doi" field
34@Article{sigfridsson,
35 author = {Sigfridsson, Emma and Ryde, Ulf},
36 title = {Comparison of methods for deriving atomic charges from the
37 electrostatic potential and moments},
38 journaltitle = {Journal of Computational Chemistry},
39 date = 1998,
40 volume = 19,
41 number = 4,
42 pages = {377-395},
43 doi = {10.1002/(SICI)1096-987X(199803)19:4<377::AID-JCC1>3.0.CO;2-P},
44 hyphenation = {american},
45 indextitle = {Methods for deriving atomic charges},
46 annotation = {An article entry with volume,
47 number, and doi fields. Note that the
48 \textsc{doi} is transformed into a clickable link if
49 hyperref support has been enabled},
50 abstract = {Four methods for deriving partial atomic charges from the
51 quantum chemical electrostatic potential (CHELP, CHELPG,
52 Merz-Kollman, and RESP) have been compared and critically
53 evaluated. It is shown that charges strongly depend on how and
54 where the potential points are selected. Two alternative
55 methods are suggested to avoid the arbitrariness in the
56 point-selection schemes and van der Waals exclusion radii:
57 CHELP-BOW, which also estimates the charges from the
58 electrostatic potential, but with potential points that are
59 Boltzmann-weighted after their occurrence in actual
60 simulations using the energy function of the program in which
61 the charges will be used, and CHELMO, which estimates the
62 charges directly from the electrostatic multipole
63 moments. Different criteria for the quality of the charges are
64 discussed.},
67^D
68---
69nocite: "[@*]"
70references:
71- abstract: "Four methods for deriving partial atomic charges from the
72 quantum chemical electrostatic potential (CHELP, CHELPG,
73 Merz-Kollman, and RESP) have been compared and critically evaluated.
74 It is shown that charges strongly depend on how and where the
75 potential points are selected. Two alternative methods are suggested
76 to avoid the arbitrariness in the point-selection schemes and van
77 der Waals exclusion radii: CHELP-BOW, which also estimates the
78 charges from the electrostatic potential, but with potential points
79 that are Boltzmann-weighted after their occurrence in actual
80 simulations using the energy function of the program in which the
81 charges will be used, and CHELMO, which estimates the charges
82 directly from the electrostatic multipole moments. Different
83 criteria for the quality of the charges are discussed."
84 annote: An article entry with volume, number, and doi fields. Note
85 that the [doi]{.smallcaps} is transformed into a clickable link if
86 hyperref support has been enabled
87 author:
88 - family: Sigfridsson
89 given: Emma
90 - family: Ryde
91 given: Ulf
92 container-title: Journal of Computational Chemistry
93 doi: "10.1002/(SICI)1096-987X(199803)19:4\\<377::AID-JCC1\\>3.0.CO;2-P"
94 id: sigfridsson
95 issue: 4
96 issued: 1998
97 language: en-US
98 page: 377-395
99 title: Comparison of methods for deriving atomic charges from the
100 electrostatic potential and moments
101 type: article-journal
102 volume: 19
103---
106```