
The Library
Browse by Warwick Author
![]() | Up a level |
Number of items: 9.
2021
Rees, Gregory J., Pitak, Mateusz B., Lari, Alberth, Day, Stephen Paul, Yates, Jonathan R., Gierth, Peter, Barnsley, Kristian E., Smith, Mark E., Coles, Simon J., Hanna, John V. and Wallis, John D. (2021) Mapping of N−C bond formation from a series of crystalline peri‐substituted naphthalenes by charge density and solid‐state NMR methodologies. Angewandte Chemie International Edition, 60 (44). pp. 23878-23884. doi:10.1002/anie.202111100
2020
Rees, Gregory J., Day, Stephen Paul, Barnsley, Kristian E., Iuga, Dinu, Yates, Jonathan R., Wallis, John D. and Hanna, John V. (2020) Data for Measuring multiple 17O-13C J-couplings in naphthalaldehydic acid : a combined solid state NMR and density functional theory approach. [Dataset]
2018
Seymour, Valerie R., Day, Stephen Paul, Scholz, Gudrun, Scheurell, Kerstin, Iuga, Dinu, Griffin, John M., Kemnitz, Erhard, Hanna, John V. and Smith, Mark E. (2018) A combined 25 Mg solid-state NMR and Ab Initio DFT approach to probe the local structural differences in magnesium acetate phases Mg(CH3 COO)2 ⋅ nH2 O (n=0, 1, 4). ChemPhysChem, 19 (14). pp. 1722-1732. doi:10.1002/cphc.201800317
Seymour, Valerie R., Day, Stephen Paul, Scholz, Gudrun, Scheurell, Kerstin, Iuga, Dinu, Griffin, John M., Kemnitz, Erhard, Hanna, John V. and Smith, Mark E. (2018) A combined 25 Mg solid-state NMR and Ab initio DFT approach to probe the local structural differences in magnesium acetate phases Mg(CH3 COO)2 ⋅ nH2 O (n=0, 1, 4). ChemPhysChem, 19 (14). pp. 1722-1732. doi:10.1002/cphc.201800317
2015
Day, Stephen Paul (2015) Approaches to ab-initio GIPAW-DFT calculations of NMR parameters in disordered materials. PhD thesis, University of Warwick.
2014
Mercadal, Nerea, Day, Stephen Paul, Jarmyn, Andrew, Pitak, Mateusz B., Coles, Simon J., Wilson, Claire, Rees, Gregory J., Hanna, John V. and Wallis, John D. (2014) O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones : formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group. CrystEngComm, Volume 16 (Number 36). pp. 8363-8374. doi:10.1039/c4ce00981a
2013
Thomas, Helen R., Day, Stephen Paul, Woodruff, William E., Vallés, Cristina, Young, Robert J. (Robert Joseph), Kinloch, Ian A., Morley, Gavin, Hanna, John V., Wilson, Neil R. and Rourke, Jonathan (2013) Deoxygenation of graphene oxide : reduction or cleaning? Chemistry of Materials, Volume 25 (Number 18). pp. 3580-3588. doi:10.1021/cm401922e
Rees, Gregory J., Day, Stephen Paul, Lari, Alberth, Howes, Andrew P., Iuga, Dinu, Pitak, Mateusz B., Coles, Simon J., Threlfall, Terry L., Light, Mark E., Smith, Mark E., Quigley, David, Wallis, John D. and Hanna, John V. (2013) A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates. CrystEngComm, Volume 15 (Number 43). pp. 8823-8839. doi:10.1039/c3ce41258j
2012
Lari, Alberth, Pitak, Matuesz B., Coles, Simon J., Rees, Gregory J., Day, Stephen Paul, Smith, Mark E., Hanna, John V. and Wallis, John D. (2012) Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes : salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde. Organic & Biomolecular Chemistry, Vol.10 (No.38). pp. 7763-7779. doi:10.1039/c2ob25929j
This list was generated on Sat Jan 28 13:25:26 2023 GMT.