Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies FA Bulat, A Toro-Labbé, T Brinck, JS Murray, P Politzer Journal of molecular modeling 16, 1679-1691, 2010 | 1102 | 2010 |
Tuning the HOMO and LUMO energy levels of organic chromophores for dye sensitized solar cells DP Hagberg, T Marinado, KM Karlsson, K Nonomura, P Qin, G Boschloo, ... The Journal of organic chemistry 72 (25), 9550-9556, 2007 | 719 | 2007 |
Surface electrostatic potentials of halogenated methanes as indicators of directional intermolecular interactions T Brinck, JS Murray, P Politzer International Journal of Quantum Chemistry 44 (S19), 57-64, 1992 | 461 | 1992 |
Average local ionization energies on the molecular surfaces of aromatic systems as guides to chemical reactivity P Sjoberg, JS Murray, T Brinck, P Politzer Canadian Journal of Chemistry 68 (8), 1440-1443, 1990 | 451 | 1990 |
Carbon− carbon bonds by hydrolytic enzymes C Branneby, P Carlqvist, A Magnusson, K Hult, T Brinck, P Berglund Journal of the American Chemical Society 125 (4), 874-875, 2003 | 304 | 2003 |
HCCI experiments with toluene reference fuels modeled by a semidetailed chemical kinetic model JCG Andrae, T Brinck, GT Kalghatgi Combustion and flame 155 (4), 696-712, 2008 | 295 | 2008 |
Mechanism of H2O2 Decomposition on Transition Metal Oxide Surfaces CM Lousada, AJ Johansson, T Brinck, M Jonsson The Journal of Physical Chemistry C 116 (17), 9533-9543, 2012 | 290 | 2012 |
High incident photon-to-current conversion efficiency of p-type dye-sensitized solar cells based on NiO and organic chromophores P Qin, M Linder, T Brinck, G Boschloo, A Hagfeldt, L Sun Advanced Materials (Weinheim) 21, 2009 | 230 | 2009 |
A computational analysis of substituent effects on the O− H bond dissociation energy in phenols: polar versus radical effects T Brinck, M Haeberlein, M Jonsson Journal of the American Chemical Society 119 (18), 4239-4244, 1997 | 228 | 1997 |
Statistically-based interaction indices derived from molecular surface electrostatic potentials: a general interaction properties function (GIPF) JS Murray, T Brinck, P Lane, K Paulsen, P Politzer Journal of Molecular Structure: THEOCHEM 307, 55-64, 1994 | 224 | 1994 |
Rhodanine dyes for dye-sensitized solar cells: spectroscopy, energy levels and photovoltaic performance T Marinado, DP Hagberg, M Hedlund, T Edvinsson, EMJ Johansson, ... Physical Chemistry Chemical Physics 11 (1), 133-141, 2009 | 217 | 2009 |
Symmetric and unsymmetric donor functionalization. comparing structural and spectral benefits of chromophores for dye-sensitized solar cells DP Hagberg, X Jiang, E Gabrielsson, M Linder, T Marinado, T Brinck, ... Journal of Materials Chemistry 19 (39), 7232-7238, 2009 | 216 | 2009 |
Synthesis and mechanistic studies of organic chromophores with different energy levels for p-type dye-sensitized solar cells P Qin, J Wiberg, EA Gibson, M Linder, L Li, T Brinck, A Hagfeldt, ... The Journal of Physical Chemistry C 114 (10), 4738-4748, 2010 | 208 | 2010 |
Family-independent relationships between computed molecular surface quantities and solute hydrogen bond acidity/basicity and solute-induced methanol O–H infrared frequency shifts H Hagelin, JS Murray, P Politzer, T Brinck, M Berthelot Canadian journal of chemistry 73 (4), 483-488, 1995 | 201 | 1995 |
Exploring the active‐site of a rationally redesigned lipase for catalysis of Michael‐type additions P Carlqvist, M Svedendahl, C Branneby, K Hult, T Brinck, P Berglund ChemBioChem 6 (2), 331-336, 2005 | 188 | 2005 |
Polarizability and volume T Brinck, JS Murray, P Politzer The Journal of chemical physics 98 (5), 4305-4306, 1993 | 186 | 1993 |
Extending the σ-hole concept to metals: An electrostatic interpretation of the effects of nanostructure in gold and platinum catalysis JH Stenlid, T Brinck Journal of the American Chemical Society 139 (32), 11012-11015, 2017 | 163 | 2017 |
Molecular surface electrostatic potentials and local ionization energies of Group V–VII hydrides and their anions: Relationships for aqueous and gas‐phase acidities T Brinck, JS Murray, P Politzer International journal of quantum chemistry 48 (2), 73-88, 1993 | 160 | 1993 |
Introduction to green energetic materials T Brinck Green Energetic Materials, 1-14, 2014 | 153 | 2014 |
Prediction of solubility of solid organic compounds in solvents by UNIFAC S Gracin, T Brinck, ÅC Rasmuson Industrial & engineering chemistry research 41 (20), 5114-5124, 2002 | 145 | 2002 |