{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,2]],"date-time":"2026-01-02T17:19:51Z","timestamp":1767374391035},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"29","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Am. Chem. Soc."],"published-print":{"date-parts":[[2005,7,1]]},"DOI":"10.1021\/ja051019a","type":"journal-article","created":{"date-parts":[[2007,5,30]],"date-time":"2007-05-30T12:17:45Z","timestamp":1180527465000},"page":"10216-10220","source":"Crossref","is-referenced-by-count":198,"title":["An Investigation of Weak CH\u00b7\u00b7\u00b7O Hydrogen Bonds in Maltose Anomers by a Combination of Calculation and Experimental Solid-State NMR Spectroscopy"],"prefix":"10.1021","volume":"127","author":[{"given":"Jonathan R.","family":"Yates","sequence":"first","affiliation":[{"name":"Contribution from the TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K., Department of Physics, University of Warwick, Coventry CV4 7AL, U.K., Laboratiore de Min\u00e9ralogie-Cristallographie de Paris, Universit\u00e9 Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex, France, Qu\u00edmica-F\u00edsica Molecular, Department of Chemistry, FCTUC, University of Coimbra, 3004-535 Coimbra, Portugal, and CICECO, Department of Chemistry, University of Aveiro, 3810-193 Aveiro,..."}]},{"given":"Tran N.","family":"Pham","sequence":"additional","affiliation":[{"name":"Contribution from the TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K., Department of Physics, University of Warwick, Coventry CV4 7AL, U.K., Laboratiore de Min\u00e9ralogie-Cristallographie de Paris, Universit\u00e9 Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex, France, Qu\u00edmica-F\u00edsica Molecular, Department of Chemistry, FCTUC, University of Coimbra, 3004-535 Coimbra, Portugal, and CICECO, Department of Chemistry, University of Aveiro, 3810-193 Aveiro,..."}]},{"given":"Chris J.","family":"Pickard","sequence":"additional","affiliation":[{"name":"Contribution from the TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K., Department of Physics, University of Warwick, Coventry CV4 7AL, U.K., Laboratiore de Min\u00e9ralogie-Cristallographie de Paris, Universit\u00e9 Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex, France, Qu\u00edmica-F\u00edsica Molecular, Department of Chemistry, FCTUC, University of Coimbra, 3004-535 Coimbra, Portugal, and CICECO, Department of Chemistry, University of Aveiro, 3810-193 Aveiro,..."}]},{"given":"Francesco","family":"Mauri","sequence":"additional","affiliation":[{"name":"Contribution from the TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K., Department of Physics, University of Warwick, Coventry CV4 7AL, U.K., Laboratiore de Min\u00e9ralogie-Cristallographie de Paris, Universit\u00e9 Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex, France, Qu\u00edmica-F\u00edsica Molecular, Department of Chemistry, FCTUC, University of Coimbra, 3004-535 Coimbra, Portugal, and CICECO, Department of Chemistry, University of Aveiro, 3810-193 Aveiro,..."}]},{"given":"Ana M.","family":"Amado","sequence":"additional","affiliation":[{"name":"Contribution from the TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K., Department of Physics, University of Warwick, Coventry CV4 7AL, U.K., Laboratiore de Min\u00e9ralogie-Cristallographie de Paris, Universit\u00e9 Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex, France, Qu\u00edmica-F\u00edsica Molecular, Department of Chemistry, FCTUC, University of Coimbra, 3004-535 Coimbra, Portugal, and CICECO, Department of Chemistry, University of Aveiro, 3810-193 Aveiro,..."}]},{"given":"Ana M.","family":"Gil","sequence":"additional","affiliation":[{"name":"Contribution from the TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K., Department of Physics, University of Warwick, Coventry CV4 7AL, U.K., Laboratiore de Min\u00e9ralogie-Cristallographie de Paris, Universit\u00e9 Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex, France, Qu\u00edmica-F\u00edsica Molecular, Department of Chemistry, FCTUC, University of Coimbra, 3004-535 Coimbra, Portugal, and CICECO, Department of Chemistry, University of Aveiro, 3810-193 Aveiro,..."}]},{"given":"Steven P.","family":"Brown","sequence":"additional","affiliation":[{"name":"Contribution from the TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K., Department of Physics, University of Warwick, Coventry CV4 7AL, U.K., Laboratiore de Min\u00e9ralogie-Cristallographie de Paris, Universit\u00e9 Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex, France, Qu\u00edmica-F\u00edsica Molecular, Department of Chemistry, FCTUC, University of Coimbra, 3004-535 Coimbra, Portugal, and CICECO, Department of Chemistry, University of Aveiro, 3810-193 Aveiro,..."}]}],"member":"316","published-online":{"date-parts":[[2005,7,2]]},"reference":[{"key":"ja051019ab00001\/ja051019ab00001_1","doi-asserted-by":"crossref","first-page":"1766","DOI":"10.1002\/anie.200460157","volume":"44","author":"Dunitz J. D.","year":"2005","journal-title":"Angew. Chem., Int. Ed."},{"key":"ja051019ab00002\/ja051019ab00002_1","volume-title":"The Weak Hydrogen Bond in Structural Chemistry and Biology","author":"Desiraju G. R.","year":"1999"},{"key":"ja051019ab00003\/ja051019ab00003_1","doi-asserted-by":"crossref","first-page":"2284","DOI":"10.1021\/ja0317574","volume":"126","author":"Yohannan S.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00004\/ja051019ab00004_1","doi-asserted-by":"crossref","first-page":"10146","DOI":"10.1021\/ja00052a009","volume":"114","author":"Steiner T.","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00005\/ja051019ab00005_1","doi-asserted-by":"crossref","first-page":"248","DOI":"10.1006\/jmbi.1995.0492","volume":"252","author":"Derewenda Z. S.","year":"1995","journal-title":"J. Mol. Biol."},{"key":"ja051019ab00006\/ja051019ab00006_1","doi-asserted-by":"crossref","first-page":"713","DOI":"10.1006\/jmbi.2000.3597","volume":"297","author":"Esposito L.","year":"2000","journal-title":"J. Mol. Biol."},{"key":"ja051019ab00007\/ja051019ab00007_1","doi-asserted-by":"crossref","first-page":"9056","DOI":"10.1073\/pnas.161280798","volume":"98","author":"Senes A.","year":"2001","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ja051019ab00008\/ja051019ab00008_1","doi-asserted-by":"crossref","first-page":"737","DOI":"10.1016\/S0022-2836(03)00317-6","volume":"328","author":"Loll B.","year":"2003","journal-title":"J. Mol. Biol."},{"key":"ja051019ab00009\/ja051019ab00009_1","doi-asserted-by":"crossref","first-page":"10371","DOI":"10.1073\/pnas.97.19.10371","volume":"97","author":"Ash E. L.","year":"2000","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ja051019ab00010\/ja051019ab00010_1","doi-asserted-by":"crossref","first-page":"15750","DOI":"10.1021\/ja038616m","volume":"125","author":"Cordier F.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00011\/ja051019ab00011_1","doi-asserted-by":"crossref","first-page":"2597","DOI":"10.1021\/ja0021823","volume":"123","author":"Ochsenfeld C.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00012\/ja051019ab00012_1","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1002\/1521-3773(20010216)40:4<717::AID-ANIE7170>3.0.CO;2-X","volume":"40","author":"Brown S. P.","year":"2001","journal-title":"Angew. Chem., Int. Ed."},{"key":"ja051019ab00013\/ja051019ab00013_1","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1006\/snmr.2002.0085","volume":"22","author":"Ochsenfeld C.","year":"2002","journal-title":"Solid State Nucl. Magn. Reson."},{"key":"ja051019ab00014\/ja051019ab00014_1","doi-asserted-by":"crossref","first-page":"4223","DOI":"10.1021\/ja029840z","volume":"125","author":"Potrzebowski M. J.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00015\/ja051019ab00015_1","doi-asserted-by":"crossref","first-page":"2807","DOI":"10.1021\/jp0364304","volume":"108","author":"Sebastiani D.","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"ja051019ab00016\/ja051019ab00016_1","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1016\/j.cplett.2004.02.098","volume":"388","author":"Hoffmann A.","year":"2004","journal-title":"Chem. Phys. Lett."},{"key":"ja051019ab00017\/ja051019ab00017_1","doi-asserted-by":"crossref","first-page":"1025","DOI":"10.1016\/j.solidstatesciences.2004.03.040","volume":"6","author":"Harris R. K.","year":"2004","journal-title":"Solid State Sci."},{"key":"ja051019ab00018\/ja051019ab00018_1","doi-asserted-by":"crossref","first-page":"966","DOI":"10.1021\/ja037330e","volume":"126","author":"Strohmeier M.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00019\/ja051019ab00019_1","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1002\/cphc.200400338","volume":"6","author":"Schulz-Dobrick M.","year":"2005","journal-title":"ChemPhysChem"},{"key":"ja051019ab00020\/ja051019ab00020_1","doi-asserted-by":"crossref","first-page":"1402","DOI":"10.1039\/b500674k","volume":"7","author":"Yates J. R.","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ja051019ab00021\/ja051019ab00021_1","doi-asserted-by":"crossref","first-page":"1457","DOI":"10.1021\/cm049063x","volume":"17","author":"Gobetto R.","year":"2005","journal-title":"Chem. Mater."},{"key":"ja051019ab00022\/ja051019ab00022_1","doi-asserted-by":"crossref","first-page":"3213","DOI":"10.1021\/ja044215a","volume":"127","author":"van Gammeren A. J.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00023\/ja051019ab00023_1","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1107\/S0567740878002630","volume":"34","author":"Takusagawa F.","year":"1978","journal-title":"Acta Crystallogr."},{"key":"ja051019ab00024\/ja051019ab00024_1","doi-asserted-by":"crossref","first-page":"2490","DOI":"10.1107\/S0567740877008772","volume":"33","author":"Gress M. E.","year":"1977","journal-title":"Acta Crystallogr."},{"key":"ja051019ab00025\/ja051019ab00025_1","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1021\/ja02247a017","volume":"39","author":"Hudson C. S.","year":"1917","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00026\/ja051019ab00026_1","doi-asserted-by":"crossref","first-page":"13194","DOI":"10.1021\/ja983048+","volume":"120","author":"Lesage A.","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00027\/ja051019ab00027_1","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1006\/jmre.2000.2249","volume":"148","author":"Lesage A.","year":"2001","journal-title":"J. Magn. Reson."},{"key":"ja051019ab00028\/ja051019ab00028_1","first-page":"286","volume":"48","author":"States D. J.","year":"1982","journal-title":"J. Magn. Reson."},{"key":"ja051019ab00029\/ja051019ab00029_1","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1016\/0009-2614(94)00470-6","volume":"223","author":"Hediger S.","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"ja051019ab00030\/ja051019ab00030_1","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1006\/jmra.1994.1208","volume":"110","author":"Metz G.","year":"1994","journal-title":"J. Magn. Reson., Ser. A"},{"key":"ja051019ab00031\/ja051019ab00031_1","doi-asserted-by":"crossref","first-page":"6951","DOI":"10.1063\/1.470372","volume":"103","author":"Bennett A. E.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ja051019ab00032\/ja051019ab00032_1","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1016\/S0009-2614(99)01174-4","volume":"314","author":"Vinogradov E.","year":"1999","journal-title":"Chem. Phys. Lett."},{"key":"ja051019ab00033\/ja051019ab00033_1","doi-asserted-by":"crossref","unstructured":"Segall, M. D.; Lindan, P. L. D.; Probert, M. J.; Pickard, C. J.; Hasnip, P. J.; Clark, S. J.; Payne, M. C.J. Phys.\u2009 Condens. Matter2002,14, 2717.","DOI":"10.1088\/0953-8984\/14\/11\/301"},{"key":"ja051019ab00034\/ja051019ab00034_1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew J. P.","year":"1999","journal-title":"Phys. Rev. Lett."},{"key":"ja051019ab00035\/ja051019ab00035_1","doi-asserted-by":"crossref","first-page":"7892","DOI":"10.1103\/PhysRevB.41.7892","volume":"41","author":"Vanderbilt D.","year":"1990","journal-title":"Phys. Rev. B"},{"key":"ja051019ab00037\/ja051019ab00037_1","doi-asserted-by":"crossref","first-page":"245101","DOI":"10.1103\/PhysRevB.63.245101","volume":"63","author":"Pickard C. J.","year":"2001","journal-title":"Phys. Rev. B"},{"key":"ja051019ab00038\/ja051019ab00038_1","doi-asserted-by":"crossref","first-page":"1045","DOI":"10.1103\/RevModPhys.64.1045","volume":"64","author":"Payne M. C.","year":"1992","journal-title":"Rev. Mod. Phys."},{"key":"ja051019ab00039\/ja051019ab00039_1","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1021\/ja027124r","volume":"125","author":"Profeta M.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00040\/ja051019ab00040_1","doi-asserted-by":"crossref","first-page":"6032","DOI":"10.1021\/jp049362+","volume":"108","author":"Yates J. R.","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"ja051019ab00041\/ja051019ab00041_1","doi-asserted-by":"crossref","first-page":"1993","DOI":"10.1103\/PhysRevB.43.1993","volume":"43","author":"Troullier N.","year":"1991","journal-title":"Phys. Rev. B"},{"key":"ja051019ab00042\/ja051019ab00042_1","doi-asserted-by":"crossref","first-page":"5188","DOI":"10.1103\/PhysRevB.13.5188","volume":"13","author":"Monkhorst H. J.","year":"1976","journal-title":"Phys. Rev. B"},{"key":"ja051019ab00043\/ja051019ab00043_1","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1002\/(SICI)1096-987X(19990115)20:1<91::AID-JCC10>3.0.CO;2-C","volume":"20","author":"Buhl M.","year":"1999","journal-title":"J. Comput. Chem."},{"key":"ja051019ab00044\/ja051019ab00044_1","doi-asserted-by":"crossref","first-page":"5131","DOI":"10.1021\/ma021769u","volume":"36","author":"Kono H.","year":"2003","journal-title":"Macromolecules"},{"key":"ja051019ab00045\/ja051019ab00045_1","doi-asserted-by":"crossref","first-page":"3649","DOI":"10.1039\/f19888403649","volume":"84","author":"Harris R. K.","year":"1988","journal-title":"J. Chem. Soc., Faraday Trans."},{"key":"ja051019ab00046\/ja051019ab00046_1","doi-asserted-by":"crossref","first-page":"4898","DOI":"10.1021\/ja00303a014","volume":"107","author":"Scheffer J. R.","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"ja051019ab00047\/ja051019ab00047_1","doi-asserted-by":"crossref","first-page":"4750","DOI":"10.1021\/ja993600a","volume":"122","author":"Vargas R.","year":"2000","journal-title":"J. Am. Chem. Soc."}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ja051019a","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,11,18]],"date-time":"2021-11-18T14:38:11Z","timestamp":1637246291000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ja051019a"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,7,1]]},"references-count":46,"journal-issue":{"issue":"29","published-print":{"date-parts":[[2005,7,1]]}},"alternative-id":["10.1021\/ja051019a"],"URL":"https:\/\/doi.org\/10.1021\/ja051019a","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2005,7,1]]}}}