| The GAMESS-UK electronic structure package: algorithms, developments and applications MF Guest*, IJ Bush, HJJ Van Dam, P Sherwood, JMH Thomas, ... Molecular physics 103 (6-8), 719-747, 2005 | 576 | 2005 |
| Strategy for enhancing the dielectric constant of organic semiconductors without sacrificing charge carrier mobility and solubility S Torabi, F Jahani, I Van Severen, C Kanimozhi, S Patil, RWA Havenith, ... Advanced Functional Materials 25 (1), 150-157, 2015 | 256 | 2015 |
| Consequences of N,C,N′- and C,N,N′-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes SH Wadman, M Lutz, DM Tooke, AL Spek, F Hartl, RWA Havenith, ... Inorganic chemistry 48 (5), 1887-1900, 2009 | 181 | 2009 |
| Current densities of localized and delocalized electrons in molecules E Steiner, PW Fowler, RWA Havenith The Journal of Physical Chemistry A 106 (30), 7048-7056, 2002 | 175 | 2002 |
| Bulk heterojunction morphologies with atomistic resolution from coarse-grain solvent evaporation simulations R Alessandri, JJ Uusitalo, AH De Vries, RWA Havenith, SJ Marrink Journal of the American Chemical Society 139 (10), 3697-3705, 2017 | 173 | 2017 |
| N-type organic thermoelectrics: demonstration of ZT > 0.3 J Liu, B van der Zee, R Alessandri, S Sami, J Dong, MI Nugraha, ... Nature communications 11 (1), 5694, 2020 | 152 | 2020 |
| Cyclometalated organoruthenium complexes for application in dye-sensitized solar cells SH Wadman, JM Kroon, K Bakker, RWA Havenith, GPM Van Klink, ... Organometallics 29 (7), 1569-1579, 2010 | 145 | 2010 |
| Density functional study on the morphology and photoabsorption of CdSe nanoclusters M Del Ben, RWA Havenith, R Broer, M Stener The Journal of Physical Chemistry C 115 (34), 16782-16796, 2011 | 134 | 2011 |
| Unconventional ring currents in anall-metal aromatic', Al42− PW Fowler, RWA Havenith, E Steiner Chemical physics letters 342 (1-2), 85-90, 2001 | 129 | 2001 |
| Ring current and electron delocalisation in an all-metal cluster, Al42− PW Fowler, RWA Havenith, E Steiner Chemical physics letters 359 (5-6), 530-536, 2002 | 116 | 2002 |
| Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N‐Type Organic Thermoelectrics J Liu, G Ye, HGO Potgieser, M Koopmans, S Sami, MI Nugraha, ... Advanced Materials 33 (4), 2006694, 2021 | 115 | 2021 |
| The role of connectivity on electronic properties of lead iodide perovskite-derived compounds ME Kamminga, GA de Wijs, RWA Havenith, GR Blake, TTM Palstra Inorganic chemistry 56 (14), 8408-8414, 2017 | 110 | 2017 |
| Explorative computational study of the singlet fission process RWA Havenith, HD de Gier, R Broer Molecular Physics 110 (19-20), 2445-2454, 2012 | 108 | 2012 |
| σ-Aromaticity in H3+ andLi3+: Insights from ring-current maps RWA Havenith, F De Proft, PW Fowler, P Geerlings Chemical physics letters 407 (4-6), 391-396, 2005 | 104 | 2005 |
| Modern plastic solar cells: materials, mechanisms and modeling RC Chiechi, RWA Havenith, JC Hummelen, LJA Koster, MA Loi Materials Today 16 (7-8), 281-289, 2013 | 103 | 2013 |
| Current density, chemical shifts and aromaticity PW Fowler, E Steiner, RWA Havenith, LW Jenneskens Magnetic Resonance in Chemistry 42 (S1), S68-S78, 2004 | 103 | 2004 |
| Double Aromaticity and Ring Currents in All‐Carbon Rings PW Fowler, N Mizoguchi, DE Bean, RWA Havenith Chemistry–A European Journal 15 (28), 6964-6972, 2009 | 98 | 2009 |
| Perimeter effects on ring currents in polycyclic aromatic hydrocarbons: Circumcoronene and two hexabenzocoronenes A Soncini, E Steiner, PW Fowler, RWA Havenith, LW Jenneskens Chemistry–A European Journal 9 (13), 2974-2981, 2003 | 96 | 2003 |
| Aromaticity and antiaromaticity of Li x Al 4 clusters: Ring current patterns versus electron counting RWA Havenith, PW Fowler, E Steiner, S Shetty, D Kanhere, S Pal Physical Chemistry Chemical Physics 6 (2), 285-288, 2004 | 94 | 2004 |
| Enhancing doping efficiency by improving host-dopant miscibility for fullerene-based n-type thermoelectrics L Qiu, J Liu, R Alessandri, X Qiu, M Koopmans, RWA Havenith, ... Journal of Materials Chemistry A 5 (40), 21234-21241, 2017 | 90 | 2017 |