Items where Author is "Ashbrook, Sharon E."

Ashbrook, Sharon E. and Beran, Gregory J.O. and Blahut, Jan and Blanc, Frédéric and Brammer, Lee and Brough, Harry and Brown, Steven P. and Bornes, Carlos and Charpentier, Thibault and Dracinsky, Martin and Dudek, Marta K. and Emsley, Lyndon and Fellowes, Thomas and Gervais, Christel and Griffith, Kent J. and Griffin, John and Goward, Gillian R. and Hodgkinson, Paul and Hughes, Colan E. and Hope, Michael A. and Köcher, Simone S. and Laurencin, Danielle and Li, Zhiyuan and Lill, Sten O.Nilsson and Morris, Andrew J. and Mueller, Leonard J. and Yates, Jonathan R. (2025) Challenges and opportunities for NMR calculations : general discussion. Faraday Discussions, 255. ISSN 1359-6640

Ashbrook, Sharon E. and Blahut, Jan and Blanc, Frédéric and Brammer, Lee and Charpentier, Thibault and Chen, Chia Hsin and Dracinsky, Martin and Dudek, Marta K. and Fellowes, Thomas and Fleischer, Carl H. and Gervais, Christel and Goodwin, Andrew L. and Goward, Gillian R. and Griffin, John and Griffith, Kent J. and Harper, Angela F. and Harris, Kenneth D.M. and Hodgkinson, Paul and Holmes, Jacob B. and Hope, Michael A. and Hughes, Colan E. and Khimyak, Yaroslav Z. and Köcher, Simone S. and Laurencin, Danielle and Morris, Andrew J. and Mueller, Leonard J. and Nilsson Lill, Sten O. and Ongkiko, Mario Antonio and Owen, Christopher and Pham, Tran N. and Thureau, Pierre and Torodii, Daria and Zorin, Vadim (2025) Understanding dynamics and mechanisms : general discussion. Faraday Discussions, 255. pp. 553-582. ISSN 1359-6640

Ashbrook, Sharon E. and Blanc, Frédéric and Brown, Steven P. and Charpentier, Thibault and Dracinsky, Martin and Dudek, Marta K. and Emsley, Lyndon and Gervais, Christel and Goodwin, Andrew L. and Goward, Gillian R. and Griffin, John and Harper, Angela F. and Harris, Kenneth D.M. and Hodgkinson, Paul and Holmes, Jacob B. and Hope, Michael A. and Hughes, Colan E. and Köcher, Simone S. and Li, Zhiyuan and Lill, Sten O.Nilsson and Merlet, Céline and Morris, Andrew J. and Mueller, Leonard J. and Price, Sarah L. and Rhodes, Benjamin J. and Seleghini, Heitor S. (2024) Generating models that describe complex disorder : General discussion. Faraday Discussions, 255. pp. 391-410. ISSN 1359-6640

McKay, David and Moran, Robert F. and Dawson, Daniel M. and Griffin, John M. and Sturniolo, Simone and Pickard, Chris J. and Berry, Andrew J. and Ashbrook, Sharon E. (2019) A Picture of Disorder in Hydrous Wadsleyite - Under the Combined Microscope of Solid-State NMR Spectroscopy and Ab Initio Random Structure Searching. Journal of the American Chemical Society, 141 (7). pp. 3024-3036. ISSN 0002-7863

Ashbrook, Sharon E. and Griffin, John M. and Johnston, Karen E. (2018) Recent advances in solid-state nuclear magnetic resonance spectroscopy. Annual Review of Analytical Chemistry, 11. pp. 485-508. ISSN 1936-1335

Dawson, Daniel M. and Walton, Richard I. and Wimperis, Stephen and Ashbrook, Sharon E. (2017) The ambient hydration of the aluminophosphate JDF-2 to AlPO-53(A) : insights from NMR crystallography. Acta Crystallographica Section C: Structural Chemistry, 73 (3). pp. 191-201. ISSN 2053-2296

Dawson, Daniel M. and Griffin, John Matthew and Seymour, Valerie R. and Wheatley, Paul S. and Amri, Mahrez and Kurkiewicz, Teresa and Guillou, Nathalie and Wimperis, Stephen and Walton, Richard I. and Ashbrook, Sharon E. (2017) A multinuclear NMR study of six forms of AlPO-34 : structure and motional broadening. The Journal of Physical Chemistry C, 121 (3). pp. 1781-1793. ISSN 1932-7447

Moran, Robert F. and McKay, David and Pickard, Chris J. and Berry, Andrew J. and Griffin, John Matthew and Ashbrook, Sharon E. (2016) Hunting for hydrogen : random structure searching and prediction of NMR parameters of hydrous wadsleyite. Physical Chemistry Chemical Physics, 18 (15). pp. 10173-10181. ISSN 1463-9076

Griffin, John M. and Ashbrook, Sharon E. (2013) Solid-state NMR of high-pressure silicates in the Earth's mantle. In: Annual Reports on NMR Spectroscopy :. Annual Reports on NMR Spectroscopy . Elsevier Academic Press, San Diego, pp. 241-332. ISBN 9780124080980

Griffin, John M. and Berry, Andrew J. and Frost, Daniel J. and Wimperis, Stephen and Ashbrook, Sharon E. (2013) Water in the Earth's mantle : a solid-state NMR study of hydrous wadsleyite. Chemical Science, 4 (4). pp. 1523-1538. ISSN 2041-6520

Bonhomme, Christian and Gervais, Christel and Babonneau, Florence and Coelho, Cristina and Pourpoint, Frederique and Azais, Thierry and Ashbrook, Sharon E. and Griffin, John M. and Yates, Jonathan R. and Mauri, Francesco and Pickard, Chris J. (2012) First-principles calculation of NMR parameters using the gauge including projector augmented wave method : a chemist's point of view. Chemical Society Reviews, 112 (11). pp. 5733-5779. ISSN 0306-0012

Knight, Fergus R. and Randall, Rebecca A. M. and Arachchige, Kasun S. Athukorala and Wakefield, Lucy and Griffin, John M. and Ashbrook, Sharon E. and Buehl, Michael and Slawin, Alexandra M. Z. and Woollins, J. Derek (2012) Noncovalent interactions in peri-substituted chalconium acenaphthene and naphthalene salts : a combined experimental, crystallographic, computational, and solid-state NMR study. Inorganic Chemistry, 51 (20). pp. 11087-11097. ISSN 0020-1669

Davies, Erika and Duer, Melinda J. and Ashbrook, Sharon E. and Griffin, John M. (2012) Applications of NMR crystallography to problems in biomineralization : refinement of the crystal structure and P-31 solid-state NMR spectral assignment of octacalcium phosphate. Journal of the American Chemical Society, 134 (30). pp. 12508-12515. ISSN 0002-7863

Amri, Mahrez and Ashbrook, Sharon E. and Dawson, Daniel M. and Griffin, John M. and Walton, Richard I. and Wimperis, Stephen (2012) A multinuclear solid-state NMR study of templated and calcined chabazite-type GaPO-34. The Journal of Physical Chemistry C, 116 (28). pp. 15048-15057. ISSN 1932-7447

Wharmby, Michael T. and Pearce, Gordon M. and Mowat, John P. S. and Griffin, John M. and Ashbrook, Sharon E. and Wright, Paul A. and Schilling, Lars-Hendrik and Lieb, Alexandra and Stock, Norbert and Chavan, Sachin and Bordiga, Silvia and Garcia, Edder and Pirngruber, Gerhard D. and Vreeke, Martin and Gora, Leszek (2012) Synthesis and crystal chemistry of the STA-12 family of metal N,N '-piperazinebis(methylenephosphonate)s and applications of STA-12(Ni) in the separation of gases. Microporous and Mesoporous Materials, 157. pp. 3-17. ISSN 1387-1811

Griffin, John M. and Clark, Lucy and Seymour, Valerie R. and Aldous, David W. and Dawson, Daniel M. and Iuga, Dinu and Morris, Russell E. and Ashbrook, Sharon E. (2012) Ionothermal O-17 enrichment of oxides using microlitre quantities of labelled water. Chemical Science, 3 (7). pp. 2293-2300. ISSN 2041-6520

Mowat, John P. S. and Seymour, Valerie R. and Griffin, John M. and Thompson, Stephen P. and Slawin, Alexandra M. Z. and Fairen-Jimenez, David and Dueren, Tina and Ashbrook, Sharon E. and Wright, Paul A. (2012) A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO2 adsorption. Dalton Transactions, 41 (14). pp. 3937-3941. ISSN 1477-9226

Mowat, John P. S. and Miler, Stuart R. and Griffin, John M. and Seymour, Valerie R. and Ashbrook, Sharon E. and Thompson, Stephen P. and Fairen-Jimenez, David and Banu, Ana-Maria and Dueren, Tina and Wright, Paul A. (2011) Structural chemistry, monoclinic-to-orthorhombic phase transition, and CO2 adsorption behavior of the small pore scandium terephthalate, Sc-2(O2CC6H4CO2)(3), and its nitro- and amino-functionalized derivatives. Inorganic Chemistry, 50 (21). pp. 10844-10858. ISSN 0020-1669

Griffin, John M. and Berry, Andrew J. and Ashbrook, Sharon E. (2011) Observation of "hidden" magnesium : first-principles calculations and Mg-25 solid-state NMR of enstatite. Solid State Nuclear Magnetic Resonance, 40 (2). pp. 91-99. ISSN 0926-2040

Griffin, John M. and Knight, Fergus R. and Hua, Guoxiong and Ferrara, Jeanette S. and Hogan, Simon W. L. and Woollins, J. Derek and Ashbrook, Sharon E. (2011) Se-77 solid-state NMR of inorganic and organoselenium systems : a combined experimental and computational study. The Journal of Physical Chemistry C, 115 (21). pp. 10859-10872. ISSN 1932-7447

Hua, Guoxiong and Griffin, John M. and Ashbrook, Sharon E. and Slawin, Alexandra M. Z. and Woollins, J. Derek (2011) Octaselenocyclododecane. Angewandte Chemie International Edition, 50 (18). pp. 4123-4126. ISSN 1433-7851

Mohideen, M. Infas H. and Xiao, Bo and Wheatley, Paul S. and McKinlay, Alistair C. and Li, Yang and Slawin, Alexandra M. Z. and Aldous, David W. and Cessford, Naomi F. and Dueren, Tina and Zhao, Xuebo and Gill, Rachel and Thomas, K. Mark and Griffin, John M. and Ashbrook, Sharon E. and Morris, Russell E. (2011) Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework. Nature Chemistry, 3 (4). pp. 304-310. ISSN 1755-4330

Johnston, Karen E. and Griffin, John M. and Walton, Richard I. and Dawson, Daniel M. and Lightfoot, Philip and Ashbrook, Sharon E. (2011) Nb-93 NMR and DFT investigation of the polymorphs of NaNbO3. Physical Chemistry Chemical Physics, 13 (16). pp. 7565-7576. ISSN 1463-9076

Griffin, John M. and Yates, Jonathan R. and Berry, Andrew J. and Wimperis, Stephen and Ashbrook, Sharon E. (2010) High-resolution F-19 MAS NMR spectroscopy : structural disorder and unusual J couplings in a fluorinated hydroxy-silicate. Journal of the American Chemical Society, 132 (44). pp. 15651-15660. ISSN 0002-7863

Castro, Maria and Seymour, Valerie R. and Carnevale, Diego and Griffin, John M. and Ashbrook, Sharon E. and Wright, Paul A. and Apperley, David C. and Parker, Julia E. and Thompson, Stephen P. and Fecant, Antoine and Bats, Nicolas (2010) Molecular modeling, multinuclear NMR, and diffraction studies in the templated synthesis and characterization of the aluminophosphate molecular sieve STA-2. The Journal of Physical Chemistry C, 114 (29). pp. 12698-12710. ISSN 1932-7447

Griffin, John M. and Miller, Andrew J. and Berry, Andrew J. and Wimperis, Stephen and Ashbrook, Sharon E. (2010) Dynamics on the microsecond timescale in hydrous silicates studied by solid-state H-2 NMR spectroscopy. Physical Chemistry Chemical Physics, 12 (12). pp. 2989-2998. ISSN 1463-9076

Ashbrook, Sharon E. and Wimperis, Stephen (2009) Spin-locking of half-integer quadrupolar nuclei in nuclear magnetic resonance of solids : second-order quadrupolar and resonance offset effects. Journal of Chemical Physics, 131 (19): 194509. ISSN 0021-9606

Ashbrook, Sharon E. and McManus, Jamie and Thrippleton, Michael J. and Wimperis, Stephen (2009) Second-order cross-term interactions in high-resolution MAS NMR of quadrupolar nuclei. Progress in Nuclear Magnetic Resonance Spectroscopy, 55 (2). pp. 160-181. ISSN 0079-6565

Ashbrook, Sharon E. and Cutajar, Marica and Griffin, John M. and Lethbridge, Zoe A. D. and Walton, Richard I. and Wimperis, Stephen (2009) Transformation of AlPO-53 to JDF-2 : Reversible dehydration of a templated aluminophosphate studied by MAS NMR and diffraction. The Journal of Physical Chemistry C, 113 (24). pp. 10780-10789. ISSN 1932-7447

Griffin, John M. and Wimperis, Stephen and Berry, Andrew J. and Pickard, Chris J. and Ashbrook, Sharon E. (2009) Solid-State O-17 NMR Spectroscopy of Hydrous Magnesium Silicates : Evidence for Proton Dynamics. The Journal of Physical Chemistry C, 113 (1). pp. 465-471. ISSN 1932-7447