| Teaching enzyme catalysis using interactive molecular dynamics in virtual reality SJ Bennie, KE Ranaghan, H Deeks, HE Goldsmith, MB O’Connor, ... Journal of Chemical Education 96 (11), 2488-2496, 2019 | 125 | 2019 |
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| Pushing the limits of EOM-CCSD with projector-based embedding for excitation energies SJ Bennie, BFE Curchod, FR Manby, DR Glowacki The journal of physical chemistry letters 8 (22), 5559-5565, 2017 | 53 | 2017 |
| This article is licensed under a Creative Commons Attribution 3.0 Unported Licence HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... P. Robins, X. Prieur, AP Coll, M. Ma, Z. Jovanovic, IS Farooqi, B. Sedgwick …, 2007 | 49 | 2007 |
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| Molpro, version 2019.2, a package of ab initio programs (2019) HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Google Scholar There is no corresponding record for this reference, 2020 | 33 | 2020 |
| TFM III, ME Mura, A HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Nicklass, DP O'Neill, P. Palmieri, D. Peng, K. Pflüger, R. Pitzer, M. Reiher …, 2019 | 23 | 2019 |
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| molpro, version 2018.1, a package of ab initio programs 2018 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Google Scholar There is no corresponding record for this reference, 2020 | 14 | 2020 |
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| MOLPRO, version 2021.2, a package of ab initio programs HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... University of Cardiff: Cardiff, UK, see http://www. molpro. net, 2021 | 13 | 2021 |
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| Exploring ultraviolet photoinduced charge-transfer dynamics in a model dinucleotide of guanine and thymine M Duchi, MP O’Hagan, R Kumar, SJ Bennie, MC Galan, BFE Curchod, ... Physical Chemistry Chemical Physics 21 (26), 14407-14417, 2019 | 13 | 2019 |
Martina StellaSenior Life Sciences/Quantum Chemistry Researcher@Algorithmiq/Long-term visiting scientist@ICTPVerified email at ictp.it
