Items where Author, Editor or other role is "Alfredsson, Maria"

Group by: Creator's name | Item Type | Date | No Grouping

Number of items: 69.

Li, Weihao, Döhn, Johannes, Chen, Jinyu, Dillenz, Manuel, Sotoudeh, Mohsen, Pickup, David M., Luo, Shunrui, Parmenter, Ryan, Arbiol, Jordi, Alfredsson, Maria, and others. (2024) Reversible K-ion intercalation in CrSe2 cathodes for potassium-ion batteries: combined operando PXRD and DFT studies. Journal of Materials Chemistry A, . ISSN 2050-7496. E-ISSN 2050-7496. (doi:10.1039/d4ta05114a) (KAR id:107664)

Cook, Andrew, Goodwin, Keri, Taylor, Paul S., Balaban, Ertan, Alfredsson, Maria, Horne, Robert, Bird, David, Batchelor, John C., Casson, Alexander J. (2023) Sputtered Zinc Electrodes on Pullulan Substrates for Flexible Biodegradable Transient Electronics. In: 2023 IEEE International Conference on Flexible and Printable Sensors and Systems (FLEPS) Proceedings. . IEEE ISBN 978-1-6654-9353-6. E-ISBN 978-1-6654-5733-0. (doi:10.1109/fleps57599.2023.10220394) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:102697)

Hogan, Matteo P. (2021) Integrated By Design: An Investigation into Solid-State Battery Processing & the Elucidation of Reaction Mechanisms. Doctor of Philosophy (PhD) thesis, University of Kent,. (doi:10.22024/UniKent/01.02.103024) (KAR id:103024)

Riesenmey, Marine Caroline Alexandra (2021) Anatase TiO2 nanotubes as negative electrodes for Lithium-ion and Sodium-ion microbatteries. Doctor of Philosophy (PhD) thesis, University of Kent,. (doi:10.22024/UniKent/01.02.89307) (KAR id:89307)

Biagini, Stefano C. G., Duncan, Nik, Watson, Ben (2020) Including blind and visually impaired students in the chemical sciences: establishing good practices. In: RSC Inclusion and Diversity Forum 2020, 8 Dec 2020, Online. (Unpublished) (KAR id:84837)

Fehse, Marcus, Hogan, Matteo P., Pang, Sally Hiu-Tung, Blackman, Oliver, Kelder, Erik M., Longo, Alessandro, Alfredsson, Maria (2020) Monitoring and quantifying morphological and structural changes in electrode materials under operando conditions. Journal of Power Sources, 478 . Article Number 228685. ISSN 0378-7753. (doi:10.1016/j.jpowsour.2020.228685) (KAR id:83325)

Blidberg, Andreas, Valvo, Mario, Alfredsson, Maria, Tengstedt, Carl, Gustafsson, Torbjörn, Björefors, Fredrik (2019) Electronic changes in poly(3,4-ethylenedioxythiophene)-coated LiFeSO4F during electrochemical lithium extraction. Journal of Power Sources, 418 . pp. 84-89. ISSN 0378-7753. (doi:10.1016/j.jpowsour.2019.02.039) (KAR id:73608)

Arayamparambil, Jeethu Jiju, Mann, Markus, Liu, Xiaohui, Alfredsson, Maria, Dronskowski, Richard, Stievano, Lorenzo, Sougrati, Moulay Tahar (2019) Electrochemical Evaluation of Pb, Ag, and Zn Cyanamides/Carbodiimides. ACS Omega, 4 (2). pp. 4339-4347. ISSN 2470-1343. (doi:10.1021/acsomega.8b02748) (KAR id:73272)

Fehse, Marcus, Sahle, Christoph J., Hogan, Matteo P., Cavallari, Chiara, Kelder, Erik M., Alfredsson, Maria, Longo, Alessandro (2019) Bulk-Sensitive Soft X-ray Edge Probing for Elucidation of Charge Compensation in Battery Electrodes. The Journal of Physical Chemistry C, 123 (40). pp. 24396-24403. ISSN 1932-7447. (doi:10.1021/acs.jpcc.9b06552) (KAR id:79184)

Bertuzzo, Marcus (2018) Interstitial Oxide-Ion Conductivity in Novel Melilite-Type Solid Oxide Fuel Cells. Doctor of Philosophy (PhD) thesis, University of Kent,. (KAR id:73323)

Scobbie, Kieran (2018) The Investigation of the Cause and Severity of Corrosion at the Port of Dover. Master of Research (MRes) thesis, University of Kent,. (KAR id:76758)

Yokota, Nanami (2018) Design and Development of Lithium-Sulphur Batteries: Operando Studies using X-ray Absorption Spectroscopy. Doctor of Philosophy (PhD) thesis, University of Kent,. (KAR id:73374)

Caccami, Maria Cristina and Marrocco, Gaetano and Horgan, M.P. and Alfredsson, Maria and Batchelor, John C. (2018) Development of a new class of on-skin radio-sensors boosted by thin polymer-based batteries. In: 2017 IEEE MTT-S International Microwave Workshop Series on Advanced Materials and Processes for RF and THz Applications (IMWS-AMP). IEEE. ISBN 978-1-5386-0481-6. E-ISBN 978-1-5386-0480-9. (doi:10.1109/IMWS-AMP.2017.8247436) (KAR id:66143)

Caccami, Maria Cristina, Hogan, Matteo P., Alfredsson, Maria, Marrocco, Gaetano, Batchelor, John C. (2017) A Tightly Integrated Multilayer Battery Antenna for RFID Epidermal Applications. IEEE Transactions on Antennas and Propagation, 66 (2). pp. 609-617. ISSN 0018-926X. E-ISSN 1558-2221. (doi:10.1109/TAP.2017.2780899) (KAR id:65470)

Fehse, Marcus, Darwiche, Ali, Sougrati, Moulay T., Kelder, Erik M., Chadwick, Alan V., Alfredsson, Maria, Monconduit, Laure, Stievano, Lorenzo (2017) In-Depth Analysis of the Conversion Mechanism of TiSnSb vs Li by Operando Triple-Edge X-ray Absorption Spectroscopy: a Chemometric Approach. Chemistry of Materials, 29 (24). pp. 10446-10454. ISSN 1520-5002. E-ISSN 1520-5002. (doi:10.1021/acs.chemmater.7b04088) (KAR id:65973)

Woods, Michael (2016) A Novel Approach to Design an Integrated Antenna-Battery System. Doctor of Philosophy (PhD) thesis, University of Kent,. (KAR id:53817)

Brownrigg, Alexander W., Mountjoy, Gavin, Chadwick, Alan V., Alfredsson, Maria, Bras, Wim, Billaud, Juliette, Armstrong, A. Robert, Bruce, Peter G., Dominko, Robert, Kelder, Erik M. and others. (2015) In situ Fe K-edge X-ray absorption spectroscopy study during cycling of Li\(_2\)FeSiO\(_4\) and Li\(_{2.2}\)Fe\(_{0.9}\)SiO\(_4\) Li ion battery materials. Journal of Materials Chemistry A, 3 (14). pp. 7314-7322. ISSN 2050-7488. E-ISSN 2050-7496. (doi:10.1039/c4ta06305h) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49974)

Ow, Jia Wei Nicholas Earvin, Musso, Federico, Bertuzzo, Marcus, Alfredsson, Maria, Corà, Furio (2015) Doped apatites for novel solid oxide fuel cell applications. In: ECS Transactions. 68 (1). pp. 529-537. Electrochemical Society Inc. ISBN 978-1-60768-539-5. (doi:10.1149/06801.0529ecst) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:53688)

Moulki, H., Faure, C., Mihelcic, M., Surca Vuk, A., Svegl, F., Orel, B., Campet, G., Alfredsson, Maria, Chadwick, Alan V., Gianolio, Diego, and others. (2014) Electrochromic performances of nonstoichiometric NiO thin films. Thin Solid Films, 553 . pp. 63-66. ISSN 0040-6090. (doi:10.1016/j.tsf.2013.10.154) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49976)

Woods, Michael A, Rakibet, Osman Ozgur, Young, Paul R., Alfredsson, Maria, Batchelor, John C. (2014) Integrated Antenna-Battery for Low-profile Short Range Communications. In: Proceedings of EuCAP 2014. . (doi:10.1109/eucap.2014.6902132) (KAR id:40810)

Kossoff, D., Dubbin, W.E., Alfredsson, Maria, Edwards, S.J., Macklin, M.G., Hudson-Edwards, K.A. (2014) Mine tailings dams: Characteristics, failure, environmental impacts, and remediation. Applied Geochemistry, 51 . pp. 229-245. ISSN 08832927 (ISSN). (doi:10.1016/j.apgeochem.2014.09.010) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49975)

Canepa, Pieremanuele, Ugliengo, Piero, Alfredsson, Maria (2012) Elastic and Vibrational Properties of a- and ß-PbO. Journal of Physical Chemistry C, 116 (40). pp. 21514-21522. ISSN 1932-7447. (doi:10.1021/jp3036988) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:40382)

Vidal-Abarca, C., Lavela, Pedro, Tirado, Jose L., Chadwick, Alan V., Alfredsson, Maria, Kelder, E.M. (2012) Improving the cyclability of sodium-ion cathodes by selection of electrolyte solvent. Journal of Power Sources, 197 . pp. 314-318. ISSN 0378-7753. (doi:10.1016/j.jpowsour.2011.09.008) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49979)

Kossoff, D., Hudson-Edwards, K.A., Dubbin, W.E., Alfredsson, Maria, Geraki, T. (2012) Cycling of As, P, Pb and Sb during weathering of mine tailings: Implications for fluvial environments. Mineralogical Magazine, 76 (5). pp. 1209-1228. ISSN 0026461X (ISSN). (doi:10.1180/minmag.2012.076.5.14) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49977)

Kossoff, D., Hudson-Edwards, K.A., Dubbin, W.E., Alfredsson, Maria (2012) Major and trace metal mobility during weathering of mine tailings: Implications for floodplain soils. Applied Geochemistry, 27 (3). pp. 562-576. ISSN 08832927 (ISSN). (doi:10.1016/j.apgeochem.2011.11.012) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49978)

Canepa, Pieremanuele, Schofield, Eleanor, Chadwick, Alan V., Alfredsson, Maria (2011) Comparison of a calculated and measured XANES spectrum of ?-Fe2O3. Physical Chemistry Chemical Physics, 13 (28). pp. 12826-12834. ISSN 1463-9076. (doi:10.1039/C1CP00034A) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:27914)

Canepa, Pieremanuele, Hanson, Richard J., Ugliengo, Piero, Alfredsson, Maria (2011) J-ICE: a new Jmol interface for handling and visualizing crystallographic and electronic properties. Journal of Applied Crystallography, 44 . pp. 225-229. ISSN 0021-8898. (doi:10.1107/S0021889810049411) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:27702)

Nwokeke, Uche G., Chadwick, Alan V., Alcantara, Ricardo, Alfredsson, Maria, Tirado, Jose L. (2011) Nanocrystalline Fe1-xCoxSn2 solid solutions prepared by reduction of salts in tetraethylene glycol. Journal of Alloys and Compounds, 509 (6). pp. 3074-3079. ISSN 0925-8388. (doi:10.1016/j.jallcom.2010.11.202) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49980)

Kossoff, D., Hudson-Edwards, K.A., Dubbin, W.E., Alfredsson, Maria (2011) Incongruent weathering of Cd and Zn from mine tailings: A column leaching study. Chemical Geology, 281 (1-2). pp. 52-71. ISSN 00092541 (ISSN). (doi:10.1016/j.chemgeo.2010.11.028) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49981)

Canepa, Pieremanuele, Kossoff, David, Hudson-Edwards, Karen A., Dubbin, W.E., Alfredsson, Maria (2009) Hematite contaminated by heavy metals. Geochimica Et Cosmochimica Acta, 73 (13 S). A189. ISSN 0016-7037. (doi:10.1016/j.gca.2009.05.026) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26111)

Ono, Shigeaki, Brodholt, John P., Alfe, Dario, Alfredsson, Maria, Price, G. David (2008) Ab initio molecular dynamics simulations for thermal equation of state of B2-type NaCl. Journal of Applied Sciences, 103 (2). 023510. ISSN 0021-8979. (doi:10.1063/1.2832632) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26108)

Kossoff, David, Hudson-Edwards, Karen A., Dubbin, W.E., Alfredsson, Maria (2008) Incongruent weathering of Cd and Zn from mine tailings. Mineralogical Magazine, 72 (1). pp. 81-84. ISSN 0026-461X. (doi:10.1180/minmag.2008.072.1.81) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:14708)

Alfredsson, Maria, Cora, Furio, Dobson, David P., Davy, James, Brodholt, John P., Parker, Steve C., Price, G. David (2007) Dopant control over the crystal morphology of ceramic materials. Surface Science, 601 (21). pp. 4793-4800. ISSN 0039-6028. (doi:10.1016/j.susc.2007.07.025) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4764)

Blanchard, Marc, Alfredsson, Maria, Brodholt, John P., Wright, Kate, Catlow, C. Richard A. (2007) Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study. Geochimica Et Cosmochimica Acta, 71 (3). pp. 624-630. ISSN 0016-7037. (doi:10.1016/j.gca.2006.09.021) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4770)

Dobson, David P., Alfredsson, Maria, Holzapfel, Christian, Brodholt, John P. (2007) Grain boundary enrichment of iron on magnesium silicate perovskite. European Journal of Mineralogy, 19 (5). pp. 617-622. ISSN 0935-1221. (doi:10.1127/0935-1221/2007/0019-1756) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26109)

Fortes, Andrew D., Wood, Ian Geoffrey, Alfredsson, Maria, Vocadlo, Lidunka, Knight, Kevin S., Marshall, W.G., Tucker, M.G., Fernandez-Alonso, F. (2007) The high-pressure phase diagram of ammonia dihydrate. High Pressure Research, 27 (2). pp. 201-212. ISSN 0895-7959. (doi:10.1080/08957950701265029) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4778)

Dove, M.T. and White, T.O.H. and Walker, A.M. and Bruin, R.P. and Austen, K.F. and Artacho, E. and Sullivan, L.A. and Calleja, M. and Tucker, M.G. and Tyer, R.P. and Couch, P.A. and Van Dam, K.K. and Allan, R.J. and Todorov, I.T. and Chapman, C. and Emmerich, W. and Marmier, A. and Parker, S.C. and Blanchard, M.O. and Catlow, C.R.A. and Du, Z. and De Leeuw, N. and Lewis, G.J. and Alexandrov, V. and Alfredsson, Maria and Brodholt, J.P. and Murray-Rust, P. (2006) Computational grids for mid-sized collaborative projects: The eMinerals experience. In: 2006 Second IEEE International Conference on e-Science and Grid Computing (e-Science'06). International Conference on e-Science and Grid Computing . IEEE. ISBN 0-7695-2734-5. (doi:10.1109/E-SCIENCE.2006.261179) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:49982)

Fortes, Andrew D., Wood, Ian Geoffrey, Alfredsson, Maria, Vocadlo, Lidunka, Knight, Kevin S. (2006) The thermoelastic properties Of MgSO4 center dot 7D(2)O (epsomite) from powder neutron diffraction and ab initio calculation. European Journal of Mineralogy, 18 (4). pp. 449-462. ISSN 0935-1221. (doi:10.1127/0935-1221/2006/0018-0449) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4777)

Li, Li, Brodholt, John P., Stackhouse, Stephen, Weidner, Donald J., Alfredsson, Maria, Price, G. David (2005) Elasticity of (Mg, Fe)(Si, Al)O-3-perovskite at high pressure. Earth and Planetary Science Letters, 240 (2). pp. 529-536. ISSN 0012-821X. (doi:10.1016/j.epsl.2005.09.030) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4782)

Dove, Martin T., Calleja, M., Bruin, R., Wakelin, J., Tucker, M.G., Lewis, Gareth, Hasan, S.M., Alexandrov, V.N., Keegan, M., Ballard, S., and others. (2005) Erratum: The eMinerals collaboratory: tools and experience. Molecular Simulation, 31 (14-15). p. 1107. ISSN 0892-7022. (doi:10.1080/10503300500520106) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4775)

Blanchard, Marc, Alfredsson, Maria, Brodholt, John P., Price, G. David, Wright, Kate, Catlow, C. Richard A. (2005) Electronic structure study of the high-pressure vibrational spectrum of FeS2 pyrite. Journal of Physical Chemistry B, 109 (46). pp. 22067-22073. ISSN 1520-6106. (doi:10.1021/jp053540x) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4769)

Alfredsson, Maria, Cora, Furio, Brodholt, John P., Parker, Steve C., Price, G. David (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions. Physics and Chemistry of Minerals, 32 (5-6). pp. 379-387. ISSN 0342-1791. (doi:10.1007/s00269-005-0009-2) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4763)

Fortes, Andrew D., Wood, Ian Geoffrey, Alfredsson, Maria, Vocadlo, Lidunka, Knight, Kevin S. (2005) The incompressibility and thermal expansivity of D2O ice II determined by powder neutron diffraction. Journal of Applied Crystallography, 38 . pp. 612-618. ISSN 0021-8898. (doi:10.1107/S0021889805014226) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4776)

Alfe, Dario, Alfredsson, Maria, Brodholt, John P., Gillan, Maureen, Towler, M.D., Needs, R.J. (2005) Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO. Physical Review B: Condensed Matter and Materials Physics, 72 (1). p. 7. ISSN 0163-1829. (doi:10.1103/PhysRevB.72.014114) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4757)

Alfredsson, Maria, Brodholt, John P., Wilson, P.B., Price, G. David, Cora, Furio, Calleja, A., Bruin, R., Blanshard, L.J., Tyer, R.P. (2005) Structural and magnetic phase transitions in simple oxides using hybrid functionals. Molecular Simulation, 31 (5). pp. 367-377. ISSN 0892-7022. (doi:10.1080/08927020500066684) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4759)

Dove, Martin T., Calleja, M., Bruin, R., Wakelin, J., Tucker, M.G., Lewais, G.J., Hasan, S.M., Alexandrov, V.N., Keegan, M., Ballard, S., and others. (2005) The eMinerals collaboratory: tools and experience. Molecular Simulation, 31 (5). pp. 329-337. ISSN 0892-7022. (doi:10.1080/08927020500066163) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4774)

Alfredsson, Maria, Brodholt, John P., Dobson, David P., Oganov, A.R., Catlow, C. Richard A., Parker, Steve C., Price, G. David (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite. Physics and Chemistry of Minerals, 31 (10). pp. 671-682. ISSN 0342-1791. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4758)

Li, Li, Brodholt, John P., Stackhouse, Stephen, Weidner, Donald J., Alfredsson, Maria, Price, G. David (2005) Electronic spin state of ferric iron in Al-bearing perovskite in the lower mantle. Geophysical Research Letters, 32 (17). p. 4. ISSN 0094-8276. (doi:10.1029/2005GL023045) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4783)

Alfredsson, Maria, Price, G. David, Catlow, C. Richard A., Parker, Steve C., Orlando, R., Brodholt, John P. (2004) Electronic structure of the antiferromagnetic B1-structured FeO. Physical Review B: Condensed Matter and Materials Physics, 70 (16). ISSN 0163-1829. (doi:10.1103/PhysRevB.70.165111) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4767)

Fortes, Andrew D., Wood, Ian Geoffrey, Grigoriev, D.Y., Alfredsson, Maria, Kipfstuhl, S., Knight, Kevin S., Smith, R.I. (2004) No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction. Journal of Chemical Physics, 120 (24). pp. 11376-11379. ISSN 0021-9606. (doi:10.1063/1.1765099) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4780)

Alfredsson, Maria, Richard, C., Catlow, A. (2004) Predicting the metal growth mode and wetting of noble metals supported on c-ZrO2. Surface Science, 561 (1). pp. 43-56. ISSN 0039-6028. (doi:10.1016/j.susc.2004.03.073) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4768)

Cora, Furio and Alfredsson, Maria and Mallia, G. and Middlemiss, D.S. and Mackrodt, W.C. and Dovesi, R. and Orlando, R. (2004) The performance of hybrid density functionals in solid state chemistry. In: Principles and Applications of Density Functional Theory in Inorganic Chemistry II. Structure and Bonding, 113 . Springer Berlin / Heidelberg, Berlin, pp. 171-232. ISBN 978-3-540-21861-6. (doi:10.1007/b97944) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4773)

Cora, Furio, Alfredsson, Maria, Barker, Carolyn M., Bell, Rob G., Foster, Martin D., Saadoune, Iman, Simperler, Alexandra, Catlow, C. Richard A. (2003) Modeling the framework stability and catalytic activity of pure and transition metal-doped zeotypes. Journal of Solid State Chemistry, 176 (2). pp. 496-529. ISSN 0022-4596. (doi:10.1016/S0022-4596(03)00275-5) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4772)

Fortes, Andrew D., Wood, Ian Geoffrey, Brodholt, John P., Alfredsson, Maria, Vocadlo, Lidunka, McGrady, G.S., Knight, Kevin S. (2003) A high-resolution neutron powder diffraction study of ammonia dihydrate (ND3 center dot 2D(2)O) phase I. Journal of Chemical Physics, 119 (20). pp. 10806-10813. ISSN 0021-9606. (doi:10.1063/1.1619371) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4779)

Herschend, Björn, Hermansson, Kersti, Alfredsson, Maria, Zhukovskii, Yuri F., Kotomin, Eugene A., Jacobs, Patrick W. M. (2003) Characterization of the metal-ceramic bonding in the Ag/MgO(001) interface from ab initio calculations. Journal of Physical Chemistry B, 107 (43). pp. 11893-11899. ISSN 1520-6106. (doi:10.1021/jp030305a) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4781)

Catlow, C. Richard A., French, Simon, Sokol, A.A., Alfredsson, Maria, Bromley, S.T. (2003) Understanding the interface between oxides and metals. Faraday Discussions, 124 . pp. 185-203. ISSN 1364-5498. (doi:10.1039/b211661h) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4771)

Saadoune, Iman, Cora, Furio, Alfredsson, Maria, Catlow, C. Richard A. (2003) Computational study of the structural and electronic properties of dopant ions in microporous AlPOs. 2. Redox catalytic activity of trivalent transition metal ions. Journal of Physical Chemistry B, 107 (13). pp. 3012-3018. ISSN 1520-6106. (doi:10.1021/jp027286) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4784)

Alfredsson, Maria, Hermansson, Kersti (2002) OH frequency calculations for the hydroxylated MgO(001) surface. Molecular Simulation, 28 (6-7). pp. 663-681. ISSN 0892-7022. (doi:10.1080/08927020290030198) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4765)

Alfredsson, Maria, Catlow, C. Richard A., Paulidou, A., Nix, R.M. (2002) Evidence of surface reconstructions and incorporation of oxygen into the oxide framework on the hydroxylated La2O3{001} surface. Chemical Communications, (18). pp. 2128-2129. ISSN 1359-7345. (doi:10.1039/b205528g) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4762)

Alfredsson, Maria, Hermansson, Kersti, Dovesi, R. (2002) Periodic ab initio calculations of the spontaneous polarisation in ferroelectric NaNO2. Physical Chemistry Chemical Physics, 4 (17). pp. 4204-4211. ISSN 1463-9076. (doi:10.1039/b204526p) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4766)

Alfredsson, Maria, Catlow, C. Richard A. (2002) A comparison between metal supported c-ZrO2 and CeO2. Physical Chemistry Chemical Physics, 4 (24). pp. 6100-6108. ISSN 1463-9076. (doi:10.1039/b204680f) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4761)

Alfredsson, Maria, Catlow, C. Richard A. (2001) Modelling of Pd and Pt Supported on the {111} and {011} Surfaces of Cubic-ZrO2. Physical Chemistry Chemical Physics, 3 (18). pp. 4129-4140. ISSN 1463-9076. (doi:10.1039/b102261j) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4760)

Hermansson, Kersti, Alfredsson, Maria (1999) Molecular polarization in water chains. Journal of Chemical Physics, 111 (5). pp. 1993-2000. ISSN 0021-9606. (doi:10.1063/1.479468) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26093)

Alfredsson, Maria, Hermansson, Kersti (1999) Hartree-Fock and DFT calculations of quadrupole coupling constants in water clusters and ice. Chemical Physics, 242 (2). pp. 161-175. ISSN 0301-0104. (doi:10.1016/S0301-0104(99)00012-9) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26094)

Spackman, MA, Byrom, PG, Alfredsson, Maria, Hermansson, Kersti (1999) Influence of intermolecular interactions on multipole-refined electron densities. Acta Crystallographica Section A, 55 (Part 1). pp. 30-47. ISSN 0108-7673. (doi:10.1107/s0108767398007181) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26096)

Hermansson, Kersti, Baudin, Micael, Ensing, Bernd, Alfredsson, Maria, Wojcik, Mark (1998) A combined molecular dynamics ab initio study of H-2 adsorption on ideal, relaxed, and temperature-reconstructed MgO(111) surfaces. Journal of Chemical Physics, 109 (17). pp. 7515-7521. ISSN 0021-9606. (doi:10.1063/1.477409) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26097)

Hermansson, Kersti, Alfredsson, Maria (1998) N-2 and HF vibrations on LiF(001): the effect of surface coverage. Surface Science, 411 (1-2). pp. 23-34. ISSN 0039-6028. (doi:10.1016/S0039-6028(98)00301-X) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26099)

Zhukovskii, Yuri F., Alfredsson, Maria, Hermansson, Kersti, Heifets, E., Kotomin, Eugene A. (1998) Ab initio simulations of silver film adhesion on alpha-Al2O3 (0001) and MgO (100) surfaces. Nuclear Instruments and Methods in Physics Research Section B, 141 (1-4). pp. 73-78. ISSN 0168-9002. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26101)

Alfredsson, Maria, Ojamae, Lars, Hermansson, Kersti (1996) A comparison of Hartree-Fock, MP2, and DFT results for the HCN dimer and crystal. International Journal of Quantum Chemistry, 60 (3). pp. 767-777. ISSN 0020-7608. (doi:10.1002/(SICI)1097-461X(1996)60:3<767::AID-QUA5>3.0.CO;2-V) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26106)

This list was generated on Tue Nov 26 19:19:45 2024 GMT.