Publications Joakim Halldin Stenlid

Publications available at KTH Publication Data Base DiVA

[1]
J. Halldin Stenlid, A. J. Johansson and T. Brinck, "The local electron attachment energy and the electrostatic potential as descriptors of surface-adsorbate interactions," Physical Chemistry, Chemical Physics - PCCP, vol. 21, no. 31, pp. 17001-17009, 2019.
[2]
M. Liljenberg, J. Halldin Stenlid and T. Brinck, "Mechanism and regioselectivity of electrophilic aromatic nitration in solution : the validity of the transition state approach," Journal of Molecular Modeling, vol. 24, no. 1, 2018.
[3]
J. Halldin Stenlid, A. J. Johansson and T. Brinck, "sigma-Holes and sigma-lumps direct the Lewis basic and acidic interactions of noble metal nanoparticles : introducing regium bonds," Physical Chemistry, Chemical Physics - PCCP, vol. 20, no. 4, pp. 2676-2692, 2018.
[4]
M. Liljenberg, J. Halldin Stenlid and T. Brinck, "Theoretical Investigation into Rate-Determining Factors in Electrophilic Aromatic Halogenation," Journal of Physical Chemistry A, vol. 122, no. 12, pp. 3270-3279, 2018.
[5]
J. Halldin Stenlid et al., "Atomic-scale modelling of copper corrosion in anoxic and sulphide containing water," in EUROCORR 2017 - The Annual Congress of the European Federation of Corrosion, 20th International Corrosion Congress and Process Safety Congress 2017, 2017.
[6]
J. Halldin Stenlid et al., "Computational Analysis of the Early Stage of Cuprous Oxide Sulphidation : A Top-Down Process," Corrosion Engineering, Science and Technology, vol. 52, no. S1, pp. 50-53, 2017.
[7]
J. Halldin Stenlid, "Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion," Doctoral thesis Stockholm : KTH Royal Institute of Technology, TRITA-CHE-Report, 2017:35, 2017.
[8]
Z. Besharat et al., "Dehydrogenation of methanol on Cu2O(100) and (111)," Journal of Chemical Physics, vol. 146, no. 24, 2017.
[10]
M. Soldemo et al., "Interaction of Sulfur Dioxide and Near-Ambient Pressures of Water Vapor with Cuprous Oxide Surfaces," The Journal of Physical Chemistry C, vol. 121, no. 43, pp. 24011-24024, 2017.
[11]
J. H. Stenlid, A. J. Johansson and T. Brinck, "Local Lewis Acidity of (TiO2)(n) (n=7-10) Nanoparticles Characterized by DFT-Based Descriptors : Tools for Catalyst Design," The Journal of Physical Chemistry C, vol. 121, no. 49, pp. 27483-27492, 2017.
[12]
J. H. Stenlid and T. Brinck, "Nucleophilic Aromatic Substitution Reactions Described by the Local Electron Attachment Energy," Journal of Organic Chemistry, vol. 82, no. 6, pp. 3072-3083, 2017.
[13]
[14]
J. Halldin Stenlid, A. J. Johansson and T. Brinck, "σ-Holes on Transition Metal Nanoclusters and Their Influence on the Local Lewis Acidity," Crystals, vol. 7, 2017.
[15]
J. Halldin Stenlid et al., "Aqueous Solvation and Surface Oxidation of the Cu7 Nanoparticle : Insights from Theoretical Modeling," The Journal of Physical Chemistry C, vol. 120, no. 3, pp. 1977-1988, 2016.
[16]
T. Brinck, P. Carlqvist and J. Halldin Stenlid, "Local Electron Attachment Energy and Its Use for Predicting Nucleophilic Reactions and Halogen Bonding," JOURNAL OF PHYSICAL CHEMISTRY A, vol. 120, no. 50, pp. 10023-10032, 2016.
[17]
J. Halldin Stenlid et al., "Reactivity at the Cu2O(100):Cu-H2O interface : a combined DFT and PES study," Physical Chemistry, Chemical Physics - PCCP, vol. 18, no. 44, pp. 30570-30584, 2016.
[18]
M. Soldemo et al., "The Surface Structure of Cu2O(100)," The Journal of Physical Chemistry C, vol. 120, no. 8, pp. 4373-4381, 2016.
[19]
J. Halldin Stenlid, A. J. Johansson and T. Brinck, "Searching for the thermodynamic limit - a DFT study of the step-wise water oxidation of the bipyramidal Cu-7 cluster," Physical Chemistry, Chemical Physics - PCCP, vol. 16, no. 6, pp. 2452-2464, 2014.
[20]
M. Liljenberg, J. Halldin Stenlid and T. Brinck, "An investigation into rate-determining factors in electrophilic aromatic halogenation," (Manuscript).
[21]
[22]
J. Halldin Stenlid, A. J. Johansson and T. Brinck, "Local Lewis Acidity of (TiO2)n n=7-10 Nanoparticles Characterized by DFT-Based Descriptors," (Manuscript).
[24]
M. Liljenberg, J. Halldin Stenlid and T. Brinck, "Theoretical investigation of regioselectivity in electrophilic aromatic nitration," (Manuscript).
Page responsible:Kenneth Carlsson
Belongs to: Department of Chemistry
Last changed: Jun 02, 2017