R.W.A. Havenith
R.W.A. Havenith
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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
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
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
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
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
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
Unconventional ring currents in anall-metal aromatic', Al42−
PW Fowler, RWA Havenith, E Steiner
Chemical physics letters 342 (1-2), 85-90, 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
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
Explorative computational study of the singlet fission process
RWA Havenith, HD de Gier, R Broer
Molecular Physics 110 (19-20), 2445-2454, 2012
Current density, chemical shifts and aromaticity
PW Fowler, E Steiner, RWA Havenith, LW Jenneskens
Magnetic Resonance in Chemistry 42 (S1), S68-S78, 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
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
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
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
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
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
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
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
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
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