| MOLPRO, version 2012.1, a Package of ab initio Programs, Cardiff, UK HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Accessed August 12, 2015, 2012 | 2938* | 2012 |
| MOLPRO, version 2015.1, a package of ab initio programs. 2015; see http://www. molpro. net HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Google Scholar There is no corresponding record for this reference, 0 | 639* | |
| High-accuracy computation of reaction barriers in enzymes F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ... ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 45 (41), 6856, 2006 | 340 | 2006 |
| The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design J Schrader, F Henneberg, RA Mata, K Tittmann, TR Schneider, H Stark, ... Science 353 (6299), 594-598, 2016 | 212 | 2016 |
| MOLPRO, version 2012.1 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... A package of ab initio programs, 2012 | 167 | 2012 |
| MOLPRO, version 2010.1 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... A package of ab initio programs, 2010 | 166 | 2010 |
| MOLPRO, version 2010.1, a package of ab initio programs, 2010 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... See http://www. molpro. net, 2010 | 163 | 2010 |
| Benchmarking quantum chemical methods: Are we heading in the right direction? RA Mata, MA Suhm Angewandte Chemie (International ed. in English) 56 (37), 11011, 2017 | 151 | 2017 |
| MOLPRO, version 2009.1, a package of ab initio programs HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ... See http://www. molpro. net, 2009 | 139 | 2009 |
| MOLPRO, version 2015.1, a package of ab initio programs, 2015 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... See http://www. molpro. net, 2017 | 138 | 2017 |
| The last globally stable extended alkane NOB Lüttschwager, TN Wassermann, RA Mata, MA Suhm Angewandte Chemie International Edition 52 (1), 463-466, 2013 | 128* | 2013 |
| MOLPRO, version 2008.1, a package of ab initio programs HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ... See http://www. molpro. net, 2008 | 124 | 2008 |
| Preparation of RSn (I)–Sn (I) R with two unsymmetrically coordinated Sn (I) atoms and subsequent gentle activation of P4 S Khan, R Michel, JM Dieterich, RA Mata, HW Roesky, JP Demers, ... American Chemical Society, 2011 | 113 | 2011 |
| Manganese (I)‐Catalyzed Dispersion‐Enabled C− H/C− C Activation TH Meyer, W Liu, M Feldt, A Wuttke, RA Mata, L Ackermann Chemistry–A European Journal 23 (23), 5443-5447, 2017 | 107 | 2017 |
| MOLPRO, version 2019.2, a package of ab initio programs HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Cardiff, UK, 2019 | 104 | 2019 |
| Calculation of smooth potential energy surfaces using local electron correlation methods RA Mata, HJ Werner The Journal of chemical physics 125 (18), 2006 | 104 | 2006 |
| Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase RA Mata, HJ Werner, S Thiel, W Thiel The Journal of chemical physics 128 (2), 2008 | 100 | 2008 |
| Correlation regions within a localized molecular orbital approach RA Mata, HJ Werner, M Schütz The Journal of chemical physics 128 (14), 2008 | 99 | 2008 |
| Local correlation methods with a natural localized molecular orbital basis RA Mata, HJ Werner Molecular Physics 105 (19-22), 2753-2761, 2007 | 97 | 2007 |
| Does DFT-D estimate accurate energies for the binding of ligands to metal complexes? U Ryde, RA Mata, S Grimme Dalton transactions 40 (42), 11176-11183, 2011 | 96 | 2011 |
