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 | 518 | 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 | 196 | 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 | 174 | 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 | 161 | 2002 |
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 | 142 | 2010 |
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 | 132 | 2017 |
Unconventional ring currents in anall-metal aromatic', Al42− PW Fowler, RWA Havenith, E Steiner Chemical physics letters 342 (1-2), 85-90, 2001 | 131 | 2001 |
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 | 122 | 2011 |
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 | 115 | 2002 |
Explorative computational study of the singlet fission process RWA Havenith, HD de Gier, R Broer Molecular Physics 110 (19-20), 2445-2454, 2012 | 100 | 2012 |
Current density, chemical shifts and aromaticity PW Fowler, E Steiner, RWA Havenith, LW Jenneskens Magnetic Resonance in Chemistry 42 (S1), S68-S78, 2004 | 90 | 2004 |
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 | 90 | 2004 |
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 | 87 | 2003 |
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 | 84 | 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 | 81 | 2013 |
Control of the diatropic π ring current in strained benzenes: Effects of annelation with cyclopropa, cyclobuta, and cyclobutadieno clamping groups A Soncini, RWA Havenith, PW Fowler, LW Jenneskens, E Steiner The Journal of Organic Chemistry 67 (14), 4753-4758, 2002 | 78 | 2002 |
The electronic structure of inorganic benzenes: valence bond and ring-current descriptions JJ Engelberts, RWA Havenith, JH van Lenthe, LW Jenneskens, ... Inorganic chemistry 44 (15), 5266-5272, 2005 | 77 | 2005 |
2, 6-Bis (oxazolinyl) phenylnickel (II) bromide and 2, 6-bis (ketimine) phenylnickel (II) bromide: synthesis, structural features, and redox properties M Stol, DJM Snelders, MD Godbole, RWA Havenith, D Haddleton, ... Organometallics 26 (16), 3985-3994, 2007 | 76 | 2007 |
Stability and aromaticity of the cyclopenta-fused pyrene congeners RWA Havenith, H Jiao, LW Jenneskens, JH van Lenthe, M Sarobe, ... Journal of the American Chemical Society 124 (10), 2363-2370, 2002 | 74 | 2002 |
Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation PW Fowler, RWA Havenith, LW Jenneskens, A Soncini, E Steiner Angewandte Chemie International Edition 41 (9), 1558-1560, 2002 | 73 | 2002 |