Understanding Chemical Selectivity through Well Selected Excited States
Guégan, F, Pigeon, T, De Proft, F, Tognetti, V, Joubert, L, Chermette, H, Ayers, P. W, Luneau, D, Morell, C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2020)
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Journal Article
ACKS2: atom-condensed Kohn-Sham DFT approximated to second order
Verstraelen, T, Ayers, P W, Van Speybroeck, V, Waroquier, M
Published in The Journal of chemical physics (21.02.2013)
Published in The Journal of chemical physics (21.02.2013)
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Journal Article
On the applicability of local softness and hardness
TORRENT-SUCARRAT, M, DE PROFT, F, AYERS, P. W, GEERLINGS, P
Published in Physical chemistry chemical physics : PCCP (07.02.2010)
Published in Physical chemistry chemical physics : PCCP (07.02.2010)
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Journal Article
The Significance of Parameters in Charge Equilibration Models
Verstraelen, T, Bultinck, P, Van Speybroeck, V, Ayers, P. W, Van Neck, D, Waroquier, M
Published in Journal of chemical theory and computation (14.06.2011)
Published in Journal of chemical theory and computation (14.06.2011)
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Journal Article
Response time of temperature measurements at automatic weather stations in Australia
Ayers, G. P., Warne, J. O.
Published in Journal of Southern Hemisphere earth systems science (01.01.2020)
Published in Journal of Southern Hemisphere earth systems science (01.01.2020)
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Journal Article
Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations
De Proft, F, Chattaraj, P. K, Ayers, P. W, Torrent-Sucarrat, M, Elango, M, Subramanian, V, Giri, S, Geerlings, P
Published in Journal of chemical theory and computation (01.04.2008)
Published in Journal of chemical theory and computation (01.04.2008)
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Journal Article
On the importance of the "density per particle" (shape function) in the density functional theory
De Proft, F, Ayers, P W, Sen, K D, Geerlings, P
Published in The Journal of chemical physics (01.06.2004)
Published in The Journal of chemical physics (01.06.2004)
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Journal Article
Inorganic bromine in the marine boundary layer: a critical review
Sander, R., Keene, W. C., Pszenny, A. A. P., Arimoto, R., Ayers, G. P., Baboukas, E., Cainey, J. M., Crutzen, P. J., Duce, R. A., Hönninger, G., Huebert, B. J., Maenhaut, W., Mihalopoulos, N., Turekian, V. C., Van Dingenen, R.
Published in Atmospheric chemistry and physics (10.09.2003)
Published in Atmospheric chemistry and physics (10.09.2003)
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Journal Article
Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theory
Gál, T, Ayers, P W, De Proft, F, Geerlings, P
Published in The Journal of chemical physics (21.10.2009)
Published in The Journal of chemical physics (21.10.2009)
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Journal Article
Switchgrass ultimate stresses at typical biomass conditions available for processing
Yu, M., Womac, A.R., Igathinathane, C., Ayers, P.D., Buschermohle, M.J.
Published in Biomass & bioenergy (01.03.2006)
Published in Biomass & bioenergy (01.03.2006)
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Journal Article
Soil properties affecting wheat yields following drilling-fluid application
Bauder, T.A, Barbarick, K.A, Ippolito, J.A, Shanahan, J.F, Ayers, P.D
Published in Journal of environmental quality (01.09.2005)
Published in Journal of environmental quality (01.09.2005)
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