Understanding Adsorption of Organics on Pt(111) in the Aqueous Phase: Insights from DFT Based Implicit Solvent and Statistical Thermodynamics Models von Bramley, Gabriel A, Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Skylaris, Chris-Kriton

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The ONETEP linear-scaling density functional theory program von Prentice, Joseph C. A., Aarons, Jolyon, Womack, James C., Allen, Alice E. A., Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A., Bhandari, Arihant, Bramley, Gabriel A., Charlton, Robert J., Clements, Rebecca J., Cole, Daniel J., Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M.-M., Duff, Kevin K. B., Escartín, José María, Greco, Andrea, Hill, Quintin, Lee, Louis P., Linscott, Edward, O’Regan, David D., Phipps, Maximillian J. S., Ratcliff, Laura E., Serrano, Álvaro Ruiz, Tait, Edward W., Teobaldi, Gilberto, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J., Dziedzic, Jacek, Haynes, Peter D., Hine, Nicholas D. M., Mostofi, Arash A., Payne, Mike C., Skylaris, Chris-Kriton

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Anchoring highly dispersed metal nanoparticles by strong electrostatic adsorption (SEA) on a dealuminated beta zeolite for catalysis von Zou, Run, Bramley, Gabriel A, Xu, Shanshan, Chansai, Sarayute, Panchal, Monik, Chen, Huanhao, Zhou, Yangtao, Gao, Pan, Hou, Guangjin, Holmes, Stuart M, Hardacre, Christopher, Jiao, Yilai, Logsdail, Andrew J, Fan, Xiaolei

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Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study von Bramley, Gabriel, Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Skylaris, Chris-Kriton

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The ONETEP linear-scaling density functional theory program von Prentice, Joseph CA, Aarons, Jolyon, Womack, James C, Allen, Alice EA, Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A, Bhandari, Arihant, Bramley, Gabriel A, Charlton, Robert J, Clements, Rebecca J, Cole, Daniel J, Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M-M, Duff, Kevin KB, Escartín, José María, Greco, Andrea, Hill, Quintin, Lee, Louis P, Linscott, Edward, O'Regan, David D, Phipps, Maximillian JS, Ratcliff, Laura E, Serrano, Álvaro Ruiz, Tait, Edward W, Teobaldi, Gilberto, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J, Dziedzic, Jacek, Haynes, Peter D, Hine, Nicholas DM, Mostofi, Arash A, Payne, Mike C, Skylaris, Chris-Kriton

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Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study von Bramley, Gabriel, Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Skylaris, Chris-Kriton

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The application of QM/MM simulations in heterogeneous catalysis von Bramley, Gabriel Adrian, Beynon, Owain Tomos, Stishenko, Pavel Viktorovich, Logsdail, Andrew James

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Assessment of functional capacity before major non-cardiac surgery: an international, prospective cohort study von Wijeysundera, Duminda N, Shulman, Mark A, Croal, Bernard L, Granton, John T, Grocott, Michael P W, Farrington, Catherine, Wallace, Sophie, Thompson, Bruce, Ellis, Mathew, Borg, Brigette, Pretto, Jeff, Godsall, Guy, Beauchamp, Nicola, Allen, Sandra, Wright, Ewan, Malherbe, Johan, Sivakumar, Harry, Kenchington, Kay, Kirabiyik, Yesim, Gurunathan, Usha, Brunello, Kate, Steele, Katherine, Dent, Annette, Painter, Thomas W, Macklin, Simon, Carrera, Anna Maria, Pitt, Simon, Samuel, Joanne, Leslie, Kate, MacCormick, Andrew, Southcott, Anne Marie, Taylor, Hugh, Towns, Miriam, Tippett, Anna, Mazer, C David, Kunasingam, Janarthanee, Yagnik, Anmol, Crescini, Charmagne, Yagnik, Sanjay, McCartney, Colin JL, Somascanthan, Priya, Au, Shelly, Beattie, W Scott, McCluskey, Stuart A, Day, Lauren, Pazmino-Canizares, Janneth, Oh, Paul, Lee, Leanna, Brull, Richard, Ami, Noam, Stanbrook, Matthew, Hagen, Katherine, Short, Timothy, Van Der Westhuizen, Joreline, Higgie, Kushlin, Wong, Chris, Ali, Marlynn, Kim, Chang Joon, Dimech, Julian, Lorimer, Michael, Collingwood, Andrew, Olliff, Sue, Houston, Helen, Dalley, Paul, Andrews, Lynn, Jason-Smith, Adelaide, McMillan, Natalie, Lum, Mark, Martin, Daniel, James, Sarah, Pinto, Manuel, Beilstein, Christian, Bodger, Pheobe, Everingham, Kirsty, Hu, Ying, Creary, Thais, Ahmad, Tahania, Haslop, Richard, MacDonald, Neil, Greaves, Kathryn, Jhanji, Shaman, Lawrence, Helen, Koutra, Maria, Pirie, Katrina, Gertsman, Michelle, Jack, Sandy, Celinski, Michael, Edwards, Mark, Salmon, Karen, Bolger, Clare, Loughney, Lisa, Seaward, Leanne, Collins, Hannah, Tantony, Natasha, Stephens, RCM, Gallego-Paredes, Laura, Gutierrez del Arroyo, Ana, Melo, Magda, Mamdani, Muhammad, Wijeysundera, Harindra C

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Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (vol 16, pg 2703, 2020) von Bramley, Gabriel, Manh-Thuong Nguyen, Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Skylaris, Chris-Kriton

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Integration of the Duke Activity Status Index into preoperative risk evaluation: a multicentre prospective cohort study von Wijeysundera, Duminda N., Beattie, W. Scott, Abbott, Tom E.F., Ackland, Gareth L., Mazer, C. David, Pearse, Rupert M., Cuthbertson, Brian H., Wallace, S., Thompson, B., Borg, B., Brannan, J., Beauchamp, N., Allen, S., Ismail, H., Riedel, B., Melville, A., Kenchington, K., Gurunathan, U., Stonell, C., Brunello, K., Steele, K., Tronstad, O., Masel, P., Dent, A., Sivalingam, P., Hall, A., Macklin, S., Pitt, S., Samuels, J., Wilde, C., Leslie, K., Bramley, D., Taylor, H., Tippett, A., Choi, S., Flores, K., Beattie, W.S., Karkouti, K., Clarke, H.A., Granton, J.T., Day, L., Lee, L., Chan, V., Ami, N., Stanbrook, M., Hagen, K., Campbell, D., Van Der Westhuizen, J., Lindsay, H., Jang, R., Wong, C., Ali, M., Kumar, J., Waymouth, E., Dimech, J., Tai, J., Sara, R., Collingwood, A., Houston, H., Hurford, S., Andrews, L., Jason-Smith, A., Thompson, H., Croal, B.L., Lum, M., Martin, D., Filipe, H., Pinto, M., Kynaston, S., Abbott, T.E.F., Beilstein, C., Bodger, P., Niebrzegowska, E., Corriea, C., Creary, T., Ahmad, T., MacDonald, N., Greaves, K., Black, E., Pirie, K., Jack, S., Celinski, M., Edwards, M., Bolger, C., Loughney, L., Seaward, L., Ackland, G.L., Stephens, R.C.M., Gutierrez del Arroyo, A., Raj, A., Cuthbertson, B.H., Pearse, R.M., Shulman, M.A., Melo, M., Thorpe, K.E., Wallace, S., Grocott, M.P.W., Oh, P., Thompson, B., Beattie, W.S.

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A simplified (modified) Duke Activity Status Index (M-DASI) to characterise functional capacity: a secondary analysis of the Measurement of Exercise Tolerance before Surgery (METS)... von Riedel, Bernhard, Li, Michael H-G., Lee, C.H. Angus, Wijeysundera, Duminda N., Ho, Kwok M., Wallace, S., Thompson, B., Ellis, M., Kerridge, R.K., Brannan, J., Pretto, J., Beauchamp, N., Allen, S., Melville, A., Murmane, A., Kenchington, K., Stonell, C., Steele, K., Tronstad, O., Smith, E., Bodger, A., Abolfathi, M., Sivalingam, P., Hall, A., Painter, T.W., Macklin, S., Leslie, K., MacCormick, A., Southcott, A.M., Grant, J., Bates, S., Towns, M., Marshall, F., Mazer, C.D., Crescini, C., Flores, K., Au, S., Beattie, W.S., Karkouti, K., Clarke, H.A., Day, L., Pazmino-Canizares, J., Belliard, R., Dobson, K., Chan, V., Brull, R., Ami, N., Campbell, D., Short, T., Van Der Westhuizen, J., Wong, C., Mcallister, D., Ali, M., Kumar, J., Waymouth, E., Kim, C., Lorimer, M., Sara, R., Collingwood, A., Olliff, S., Gabriel, S., Houston, H., Dalley, P., Hunt, A., Andrews, L., Navarra, L., Thompson, H., McMillan, N., Back, G., Lum, M., Pinto, M., Beilstein, C., Bodger, P., Everingham, K., Hu, Y., Niebrzegowska, E., Corriea, C., Ahmad, T., Pakats, M., Greaves, K., Jhanji, S., Black, E., Rooms, M., Koutra, M., Pirie, K., Gertsman, M., Jack, S., Celinski, M., Salmon, K., Bolger, C., Seaward, L., Collins, H., Tantony, N., Stephens, R.C.M., Reyes, A., Gutierrez del Arroyo, A., R Lifford, R., Melo, M., Hillis, G., Wijeysundera, H.C.

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Using the 6-minute walk test to predict disability-free survival after major surgery von Shulman, M.A., Cuthbertson, B.H., Wijeysundera, D.N., Pearse, R.M., Thompson, B., Torres, E., Ambosta, A., Wallace, S., Farrington, C., Myles, P.S., Wallace, S., Thompson, B., Ellis, M., Borg, B., Kerridge, R.K., Douglas, J., Brannan, J., Pretto, J., Godsall, M.G., Beauchamp, N., Allen, S., Kennedy, A., Malherbe, J., Ismail, H., Riedel, B., Melville, A., Sivakumar, H., Murmane, A., Kenchington, K., Gurunathan, U., Stonell, C., Brunello, K., Steele, K., Masel, P., Dent, A., Smith, E., Bodger, A., Abolfathi, M., Sivalingam, P., Hall, A., Macklin, S., Elliott, A., Carrera, A.M., Terblanche, N.C.S., Pitt, S., Wilde, C., MacCormick, A., Leslie, K., Bramley, D., Southcott, A.M., Grant, J., Taylor, H., Bates, S., Towns, M., Tippett, A., Marshall, F., McCartney, C.J.L., Choi, S., Somascanthan, P., Flores, K., Beattie, W.S., Karkouti, K., Clarke, H.A., Jerath, A., McCluskey, S.A., Wasowicz, M., Granton, J.T., Day, L., Pazmino-Canizares, J., Hagen, K., Campbell, D., Short, T., Van Der Westhuizen, J., Higgie, K., Lindsay, H., Jang, R., Wong, C., Mcallister, D., Ali, M., Kumar, J., Waymouth, E., Kim, C., Lorimer, M., Tai, J., Miller, R., Sara, R., Collingwood, A., Olliff, S., Gabriel, S., Houston, H., Dalley, P., Hurford, S., Hunt, A., Andrews, L., Navarra, L., Thompson, H., McMillan, N., Back, G., Melo, M., Hillis, G.

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Measurement of Exercise Tolerance before Surgery (METS) study: a protocol for an international multicentre prospective cohort study of cardiopulmonary exercise testing prior to maj... von Wijeysundera, Duminda N, Pearse, Rupert M, Shulman, Mark A, Abbott, Tom E F, Torres, Elizabeth, Croal, Bernard L, Granton, John T, Thorpe, Kevin E, Grocott, Michael P W, Farrington, Catherine, Myles, Paul S, Cuthbertson, Brian H

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Improvements in periodic representation of solvated systems with FHI-aims von Stishenko, Pavel, Filsner, Jacob, Bramley, Gabriel, Maurer, Reinhard, Blum, Volker, Oberhofer, Harald, Logsdail, Andrew

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Dataset supporting a thesis: Developing and Evaluating Implicit Solvent Models for Catalytic Metallic Surfaces von Bramley, Gabriel, Adrian, Skylaris, Chris-Kriton, Nguyen, Manh-Thuong, Rousseau, Roger, Glezakou, Vassiliki-Alexandra

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Integration of the Duke Activity Status Index into preoperative risk evaluation: a multicentre prospective cohort study von Wijeysundera, DN, Beattie, WS, Hillis, GS, Abbott, TEF, Shulman, MA, Ackland, GL, Mazer, CD, Pearse, RM, Wallace, S, Ellis, M, Brannan, J, Godsall, MG, Beauchamp, N, Allen, S, Wright, E, Malherbe, J, Riedel, B, Sivakumar, H, Murmane, A, Kenchington, K, Kirabiyik, Y, Stonell, C, Tronstad, O, Bodger, A, Hall, A, Painter, TW, Elliott, A, Terblanche, NCS, Samuels, J, Wilde, C, Leslie, K, MacCormick, A, Bramley, D, Southcott, AM, Grant, J, Taylor, H, Tippett, A, Marshall, F, Kunasingam, J, Crescini, C, Yagnik, S, McCartney, CJL, Somascanthan, P, Clarke, HA, Pazmino-Canizares, J, Oh, P, Lee, L, Dobson, K, Chan, V, Brull, R, Hagen, K, Campbell, D, Van Der Westhuizen, J, Higgie, K, Lindsay, H, Wong, C, Mcallister, D, Kumar, J, Waymouth, E, Kim, C, Lorimer, M, Miller, R, Olliff, S, Gabriel, S, Dalley, P, Hurford, S, Hunt, A, Jason-Smith, A, Croal, BL, James, S, Kynaston, S, Beilstein, C, Bodger, P, Niebrzegowska, E, Creary, T, Januszewska, M, Ahmad, T, Haslop, R, McNeil, J, MacDonald, N, Black, E, Lawrence, H, Pirie, K, Jack, S, Celinski, M, Levett, D, Edwards, M, Bolger, C, Seaward, L, Collins, H, Tantony, N, Golder, K, Stephens, RCM, Gallego-Paredes, L, Reyes, A, Gutierrez Del Arroyo, A, Raj, A, International and National Coordinators, Central Project Office Operations Committee, International Steering Committee

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