Citation: K. Tuppurainen et J. Ruuskanen, Electronic eigenvalue (EEVA): a new QSAR/QSPR descriptor for electronic substituent effects based on molecular orbital energies. A QSAR approach to the Ah receptor binding affinity of polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs), CHEMOSPHERE, 41(6), 2000, pp. 843-848
Citation: K. Tuppurainen, EEVA (electronic eigenvalue): A new QSAR/QSPR descriptor for electronic substituent effects based on molecular orbital energies, SAR QSAR EN, 10(1), 1999, pp. 39-46
Authors:
Kolehmainen, E
Koivisto, J
Nikiforov, V
Perakyla, M
Tuppurainen, K
Laihia, K
Kauppinen, R
Miltsov, SA
Karavan, VS
Citation: E. Kolehmainen et al., NMR spectroscopy in environmental chemistry: H-1 and C-13 NMR chemical shift assignments of chlorinated dibenzothiophenes based on two-dimensional NMR techniques and ab initio MO and DFT/GIAO calculations, MAGN RES CH, 37(10), 1999, pp. 743-747
Citation: K. Tuppurainen et J. Ruuskanen, A plausible mechanism for copper-catalyzed oxidative chlorophenol couplingreactions. Semi-empirical AM1 and ab initio 3-21G molecular orbital studies, CHEMOSPHERE, 38(8), 1999, pp. 1825-1832
Citation: K. Tuppurainen, Frontier orbital energies, hydrophobicity and steric factors as physical QSAR descriptors of molecular mutagenicity. A review with a case study: MX compounds, CHEMOSPHERE, 38(13), 1999, pp. 3015-3030
Authors:
Tuppurainen, K
Aatamila, M
Ruokojarvi, P
Halonen, I
Ruuskanen, J
Citation: K. Tuppurainen et al., Effect of liquid inhibitors on PCDD/F formation, prediction of particle-phase PCDD/F concentrations using PLS modelling with gas-phase chlorophenol concentrations as independent variables, CHEMOSPHERE, 38(10), 1999, pp. 2205-2217
Authors:
Lounila, J
Hiltunen, Y
Tuppurainen, K
Pulkkinen, A
Laatikainen, R
Citation: J. Lounila et al., Solvent dependence of rotational energetics and formyl-proton long-range spin-spin coupling behavior of 2,6-dichloro- and 2,6-dinitrobenzaldehydes using dipolar couplings and temperature dependence of long-range couplings, CAN J CHEM, 77(11), 1999, pp. 1788-1796
Authors:
Arnell, H
Mantyjarvi, M
Tuppurainen, K
Andreasson, S
Dahl, N
Citation: H. Arnell et al., Stargardt disease: Linkage to the ABCR gene region on 1p21-p22 in Scandinavian families, ACT OPHTH S, 76(6), 1998, pp. 649-652