Cotton, S., McHugh, M.P., Dewar, R., Haas, J.G., Templeton, K., Robson, Samuel C., Connor, Thomas R. ![]() |
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Farzana, Refath, Jones, Lim S., Rahman, Md Sadikur, Sands, Kirsty, van Tonder, Andries J., Portal, Edward, Munoz Criollo, Jose, Parkhill, Julian, Guest, Martyn F., Watkins, W. John ![]() ![]() |
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Willett, Brian J., Grove, Joe, MacLean, Oscar A., Wilkie, Craig, De Lorenzo, Giuditta, Furnon, Wilhelm, Cantoni, Diego, Scott, Sam, Logan, Nicola, Ashraf, Shirin, Manali, Maria, Szemiel, Agnieszka, Cowton, Vanessa, Vink, Elen, Harvey, William T., Davis, Chris, Asamaphan, Patawee, Smollett, Katherine, Tong, Lily, Orton, Richard, Hughes, Joseph, Holland, Poppy, Silva, Vanessa, Pascall, David J., Puxty, Kathryn, da Silva Filipe, Ana, Yebra, Gonzalo, Shaaban, Sharif, Holden, Matthew T. G., Pinto, Rute Maria, Gunson, Rory, Templeton, Kate, Murcia, Pablo R., Patel, Arvind H., Klenerman, Paul, Dunachie, Susanna, Dunachie, Susanna, Klenerman, Paul, Barnes, Eleanor, Brown, Anthony, Adele, Sandra, Kronsteiner, Barbara, Murray, Sam M., Abraham, Priyanka, Deeks, Alexandra, Ansari, M. Azim, de Silva, Thushan, Turtle, Lance, Moore, Shona, Austin, James, Richter, Alex, Duncan, Christopher, Payne, Rebecca, Ash, Amy, Koshy, Cherian, Kele, Beatrix, Cutino-Moguel, Teresa, Fairley, Derek J., McKenna, James P., Curran, Tanya, Adams, Helen, Fraser, Christophe, Bonsall, David, Fryer, Helen, Lythgoe, Katrina, Thomson, Laura, Golubchik, Tanya, Murray, Abigail, Singleton, Dawn, Beckwith, Shaun M., Mantzouratou, Anna, Barrow, Magdalena, Buchan, Sarah L., Reynolds, Nicola, Warne, Ben, Maksimovic, Joshua, Spellman, Karla, McCluggage, Kathryn, John, Michaela, Beer, Robert, Afifi, Safiah, Morgan, Sian, Mack, Andrew, Marchbank, Angela, Price, Anna, Morris, Arthur, Bresner, Catherine ![]() ![]() ![]() |
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Eales, Oliver, Page, Andrew J., de Oliveira Martins, Leonardo, Wang, Haowei, Bodinier, Barbara, Haw, David, Jonnerby, Jakob, Atchison, Christina, Robson, Samuel C., Connor, Thomas R. ![]() ![]() ![]() |
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Nickbakhsh, Sema, Hughes, Joseph, Christofidis, Nicolaos, Griffiths, Emily, Shaaban, Sharif, Enright, Jessica, Smollett, Katherine, Nomikou, Kyriaki, Palmalux, Natasha, Tong, Lily, Carmichael, Stephen, Sreenu, Vattipally B., Orton, Richard, Goldstein, Emily J., Tomb, Rachael M., Robson, Samuel C., Connor, Thomas R. ![]() ![]() ![]() |
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Kläser, Kerstin, Molteni, Erika, Graham, Mark, Canas, Liane S., Österdahl, Marc F., Antonelli, Michela, Chen, Liyuan, Deng, Jie, Murray, Benjamin, Kerfoot, Eric, Wolf, Jonathan, May, Anna, Fox, Ben, Capdevila, Joan, Aanensen, David M., Abudahab, Khalil, Adams, Helen, Adams, Alexander, Afifi, Safiah, Aggarwal, Dinesh, Ahmad, Shazaad S. Y., Aigrain, Louise, Alcolea-Medina, Adela, Alikhan, Nabil-Fareed, Allara, Elias, Amato, Roberto, Angyal, Adrienn, Annett, Tara, Aplin, Stephen, Ariani, Cristina V., Asad, Hibo, Ash, Amy, Ashfield, Paula, Ashford, Fiona, Atkinson, Laura, Attwood, Stephen W., Auckland, Cressida, Aydin, Alp, Baker, David J., Baker, Paul, Balcazar, Carlos E., Ball, Jonathan, Barrett, Jeffrey C., Barrow, Magdalena, Barton, Edward, Bashton, Matthew, Bassett, Andrew R., Batra, Rahul, Baxter, Chris, Bayzid, Nadua, Beaver, Charlotte, Beckett, Angela H., Beckwith, Shaun M., Bedford, Luke, Beer, Robert, Beggs, Andrew, Bellis, Katherine L., Berry, Louise, Bertolusso, Beatrice, Best, Angus, Betteridge, Emma, Bibby, David, Bicknell, Kelly, Binns, Debbie, Birchley, Alec, Bird, Paul W., Bishop, Chloe, Blacow, Rachel, Blakey, Victoria, Blane, Beth, Bolt, Frances, Bonfield, James, Bonner, Stephen, Bonsall, David, Boswell, Tim, Bosworth, Andrew, Bourgeois, Yann, Boyd, Olivia, Bradley, Declan T., Breen, Cassie, Bresner, Catherine ![]() ![]() ![]() |
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Aggarwal, Dinesh, Page, Andrew J., Schaefer, Ulf, Savva, George M., Myers, Richard, Volz, Erik, Ellaby, Nicholas, Platt, Steven, Groves, Natalie, Gallagher, Eileen, Tumelty, Niamh M., Le Viet, Thanh, Hughes, Gareth J., Chen, Cong, Turner, Charlie, Logan, Sophie, Harrison, Abbie, Peacock, Sharon, Chand, Meera, Harrison, Ewan M., Marchbank, Angela, Price, Anna, Kitchen, Christine, Gulliver, Huw, Merrick, Ian, Southgate, Joel, Guest, Martyn, Munn, Robert, Workman, Trudy, Connor, Thomas R. ![]() ![]() ![]() |
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Aggarwal, Dinesh, Warne, Ben, Jahun, Aminu S., Hamilton, William L., Fieldman, Thomas, du Plessis, Louis, Hill, Verity, Blane, Beth, Watkins, Emmeline, Wright, Elizabeth, Hall, Grant, Ludden, Catherine, Myers, Richard, Hosmillo, Myra, Chaudhry, Yasmin, Pinckert, Malte L., Georgana, Iliana, Izuagbe, Rhys, Leek, Danielle, Nsonwu, Olisaeloka, Hughes, Gareth J., Packer, Simon, Page, Andrew J., Metaxaki, Marina, Fuller, Stewart, Weale, Gillian, Holgate, Jon, Brown, Christopher A., Orton, Alexandra, Douthwaite, Julie, Rees, Steve, Brown, Christopher, Clark, Roger, Jones, Daniel R., Kuenzi, Fred, Rankin, Jennifer, Waddell, Ian, Maxwell, Patrick, Matheson, Nicholas, Abell, Chris, Braithwaite, Vickie, Brierley, Craig, Crowcroft, Jon, Dahal, Aastha, Faulkner, Kathryn, Glover, Michael, Goodfellow, Ian, Greatorex, Jane, James, Laura, Lehner, Paul, Leslie, Ian, Liddell, Kathleen, Margolis, Ben, Morgan, Sally, Sheridan, Linda, Valletta, Sally, Vignoles, Anna, Vinnell, Martin, Wills, Mark, Hilborne, Sarah, Berry, Sarah, Kahkeshi, Mahin Bagheri, Hancock, Dawn, Winster, Jennifer, Enright, Jessica, Samworth, Richard, Samtani, Vijay, Ahmadi-Assalemi, Gabriela, Feather, Tom, Goodall, Robin, Hoensch, Steve, Johnson, Dean, Hunt, Martin, Mathieson, Nick, Nikitina, Katya, Sheldrake, Zara, Keen, Martin, Sato, Aris, Connor, David ![]() ![]() ![]() ![]() |
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Lythgoe, Katrina A., Hall, Matthew, Ferretti, Luca, de Cesare, Mariateresa, MacIntyre-Cockett, George, Trebes, Amy, Andersson, Monique, Otecko, Newton, Wise, Emma L., Moore, Nathan, Lynch, Jessica, Kidd, Stephen, Cortes, Nicholas, Mori, Matilde, Williams, Rebecca, Vernet, Gabrielle, Justice, Anita, Green, Angie, Nicholls, Samuel M., Ansari, M. Azim, Abeler-Dörner, Lucie, Moore, Catrin E., Peto, Timothy E. A., Eyre, David W., Shaw, Robert, Simmonds, Peter, Buck, David, Todd, John A., Connor, Thomas R. ![]() ![]() ![]() |
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Guest, Martyn F., Elena, Alin M. and Chalk, Aidan B. G. 2021. DL_POLY - a performance overview analysing, understanding and exploiting available HPC technology. Molecular Simulation 47 (2-3) , pp. 194-227. 10.1080/08927022.2019.1603380 |
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Smith, William, Guest, Martyn, Todorov, Ilian and Durham, Paul
2020.
Molecular simulation and the collaborative computational projects.
The European Physical Journal H
45
(4-5)
, 259–343.
10.1140/epjh/e2020-10034-9
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Thomas, Lee ![]() ![]() ![]() |
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Connor, Thomas R. ![]() ![]() |
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Chorley, Martin ![]() ![]() |
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Rennie, E. E., Cooper, L., Shpinkova, L. G., Holland, D. M. P., Shaw, D. A., Guest, Martyn Frederick and Mayer, P. M. 2009. Methyl t-butyl ether and methyl trimethylsilyl ether ions dissociate near their ionization thresholds: A TPES, TPEPICO, RRKM, and G3 investigation. Journal of Physical Chemistry A 113 (20) , pp. 5823-5831. 10.1021/jp900991p |
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Walker, I. C., Holland, D. M. P., Shaw, D. A., McEwen, I. J. and Guest, Martyn Frederick 2007. The electronic states of cyclopropane studied by VUV absorption and ab initio multireference configuration interaction calculations. Journal of Physics B Atomic Molecular and Optical Physics 40 (10) , pp. 1875-1888. 10.1088/0953-4075/40/10/021 |
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To, Judy, Sherwood, Paul, Sokol, Alexey A., Bush, Ian J., Catlow, C. Richard A., Van Dam, Huub J. J., French, Samuel A. and Guest, Martyn Frederick 2006. QM/MM modelling of the TS-1 catalyst using HPCx. Journal of Materials Chemistry 16 (20) , pp. 1919-1926. 10.1039/b601089j |
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Holland, D. M. P., Shaw, D., Walker, I. C., McEwen, I. J., Aprà, E. and Guest, Martyn Frederick 2005. A study of the valence shell photoelectron and photoabsorption spectra of CF3SF5. Journal of physics B Atomic molecular and optical physics 38 (12) , pp. 2047-2067. 10.1088/0953-4075/38/12/017 |
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Guest, Martyn Frederick and Palmer, Michael H. 2003. Assignment of the electronic states of pyrazole by ab initio multi-reference configuration interaction calculations. Chemical Physics 291 (3) , pp. 287-306. 10.1016/S0301-0104(03)00238-6 |
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