| Structure and stability of the (001) α-quartz surface TPM Goumans, A Wander, WA Brown, CRA Catlow Physical Chemistry Chemical Physics 9 (17), 2146-2152, 2007 | 229 | 2007 |
| Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin–orbit coupling K Mori, TPM Goumans, E Van Lenthe, F Wang Physical Chemistry Chemical Physics 16 (28), 14523-14530, 2014 | 161 | 2014 |
| Locating instantons in many degrees of freedom JB Rommel, TPM Goumans, J Kästner Journal of Chemical Theory and Computation 7 (3), 690-698, 2011 | 126 | 2011 |
| Consistent theoretical description of 1, 3-dipolar cycloaddition reactions S Grimme, C Mück-Lichtenfeld, EU Würthwein, AW Ehlers, TPM Goumans, ... The Journal of Physical Chemistry A 110 (8), 2583-2586, 2006 | 115 | 2006 |
| Efficient nucleation of stardust silicates via heteromolecular homogeneous condensation TPM Goumans, ST Bromley Monthly Notices of the Royal Astronomical Society 420 (4), 3344-3349, 2012 | 109 | 2012 |
| An embedded cluster study of the formation of water on interstellar dust grains TPM Goumans, CRA Catlow, WA Brown, J Kästner, P Sherwood Physical chemistry chemical physics 11 (26), 5431-5436, 2009 | 92 | 2009 |
| Improved reaction and activation energies of [4+ 2] cycloadditions,[3, 3] sigmatropic rearrangements and electrocyclizations with the spin‐component‐scaled MP2 method TPM Goumans, AW Ehlers, K Lammertsma, EU Würthwein, S Grimme Chemistry–A European Journal 10 (24), 6468-6475, 2004 | 91 | 2004 |
| Hydrogen‐Atom Tunneling Could Contribute to H2 Formation in Space TPM Goumans, J Kästner Angewandte Chemie International Edition 49 (40), 7350-7352, 2010 | 88 | 2010 |
| Formation of CO2 on a carbonaceous surface: a quantum chemical study TPM Goumans, MA Uppal, WA Brown Monthly Notices of the Royal Astronomical Society 384 (3), 1158-1164, 2008 | 80 | 2008 |
| Tunneling in hydrogen and deuterium atom addition to CO at low temperatures S Andersson, TPM Goumans, A Arnaldsson Chemical Physics Letters 513 (1-3), 31-36, 2011 | 67 | 2011 |
| Deuterium enrichment of interstellar methanol explained by atom tunneling TPM Goumans, J Kästner The Journal of Physical Chemistry A 115 (39), 10767-10774, 2011 | 64 | 2011 |
| Tunnelling in the O+ CO reaction TPM Goumans, S Andersson Monthly Notices of the Royal Astronomical Society 406 (4), 2213-2217, 2010 | 62 | 2010 |
| The asymmetric Schrock olefin metathesis catalyst. A computational study TPM Goumans, AW Ehlers, K Lammertsma Organometallics 24 (13), 3200-3206, 2005 | 52 | 2005 |
| Hydrogen chemisorption on polycyclic aromatic hydrocarbons via tunnelling TPM Goumans Monthly Notices of the Royal Astronomical Society 415 (4), 3129-3134, 2011 | 49 | 2011 |
| Photodissociation of the Phosphine-Substituted Transition Metal Carbonyl Complexes Cr(CO)5L and Fe(CO)4L: A Theoretical Study TPM Goumans, AW Ehlers, MC van Hemert, A Rosa, EJ Baerends, ... Journal of the American Chemical Society 125 (12), 3558-3567, 2003 | 48 | 2003 |
| Isotope effects for formaldehyde plus hydrogen addition and abstraction reactions: rate calculations including tunnelling TPM Goumans Monthly Notices of the Royal Astronomical Society 413 (4), 2615-2620, 2011 | 47 | 2011 |
| Formation of H2 on an olivine surface: a computational study TPM Goumans, C Richard, A Catlow, WA Brown Monthly Notices of the Royal Astronomical Society 393 (4), 1403-1407, 2009 | 42 | 2009 |
| Photochemical generation and structure of vinyl radicals TPM Goumans, K van Alem, G Lodder European Journal of Organic Chemistry 2008 (3), 435-443, 2008 | 40 | 2008 |
| Chiral pyrroline-based Ugi-three-component reactions are under kinetic control ER van Rijssel, TPM Goumans, G Lodder, HS Overkleeft, ... Organic letters 15 (12), 3026-3029, 2013 | 38 | 2013 |
| Challenges in modelling the reaction chemistry of interstellar dust ST Bromley, TPM Goumans, E Herbst, AP Jones, B Slater Physical Chemistry Chemical Physics 16 (35), 18623-18643, 2014 | 34 | 2014 |
