All Stories

  1. Essentials for combined experimental and computational 77Se NMR of organoselenium catalysts and bioinspired antioxidants

    Article • Mini-Reviews in Organic Chemistry, May 2020, Bentham Science Publishers

    Dr Laura Orian

  2. Comprehensive investigation of the triplet state electronic structure of free-base 5,10,15,20-tetrakis(4-sulfonatophenyl)porphyrin by a combined advanced EPR and theoretical approach

    Article • The Journal of Chemical Physics, January 2020, American Institute of Physics

    Dr Laura Orian

  3. Mechanistic Insight into the Oxidation of Organic Phenylselenides by H2O2

    Article • Chemistry - A European Journal, January 2017, Wiley

    Dr Laura Orian

  4. Insights on selenium and tellurium diaryldichalcogenides: A benchmark DFT study

    Article • Journal of Computational Chemistry, April 2016, Wiley

    Dr Laura Orian

  5. Glutathione Peroxidase 4

    Article • January 2016, Springer Science + Business Media

    Dr Laura Orian

  6. Peroxidase Activity of Organic Selenides: Mechanistic Insights from Quantum Chemistry

    Article • Current Organic Chemistry, November 2015, Bentham Science Publishers

    Dr Laura Orian

  7. Energetics of oxo- and thio-dipeptide formation via amino acid condensation: a systematic computational analysis

    Article • Physical Chemistry Chemical Physics, July 2014, Royal Society of Chemistry

    Dr Laura Orian

  8. Role of gamma carboxylated Glu47 in connexin 26 hemichannel regulation by extracellular Ca2+: Insight from a local quantum chemistry study

    Article • Biochemical and Biophysical Research Communications, February 2014, Elsevier

    Dr Laura Orian

  9. Organochalcogen peroxidase mimetics as potential drugs: a long story of a promise still unfulfilled

    Article • Free Radical Biology and Medicine, January 2014, Elsevier

    Dr Laura Orian

  10. Evidence for water-mediated triplet–triplet energy transfer in the photoprotective site of the peridinin–chlorophyll a–protein

    Article • Biochimica et Biophysica Acta (BBA) - Bioenergetics, January 2014, Elsevier

    Dr Laura Orian

  11. Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium‐Catalyzed Acetylene [2+2+2] Cyclotrimerization

    Article • ChemPhysChem, November 2013, Wiley

    Professor Marcel Swart, Dr Laura Orian, Professor Matthias Bickelhaupt

  12. Triplet–triplet energy transfer in fucoxanthin-chlorophyll protein from diatom Cyclotella meneghiniana: Insights into the structure of the complex

    Article • Biochimica et Biophysica Acta (BBA) - Bioenergetics, October 2013, Elsevier

    Dr Laura Orian

  13. Back Cover: In Silico Design of Heteroaromatic Half-Sandwich Rh I Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect (Chem. Eur. J. 40/2013)

    Article • Chemistry - A European Journal, September 2013, Wiley

    Dr Laura Orian, Professor Matthias Bickelhaupt

  14. Large excited state two photon absorptions in the near infrared region of surprisingly stable radical cations of (ferrocenyl)indenes

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Laura Orian

  15. Charge Transfer in Model Bioinspired Carotene–Porphyrin Dyads

    Article • The Journal of Physical Chemistry A, April 2012, American Chemical Society (ACS)

    Dr Laura Orian

  16. Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study

    Article • March 2012, Springer Science + Business Media

    Dr Laura Orian

  17. Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study

    Article • Theoretical Chemistry Accounts, March 2012, Springer Science + Business Media

    Dr Laura Orian

  18. Anti-Kasha’s Rule Fluorescence Emission in (2-Ferrocenyl)indene Generated by a Twisted Intramolecular Charge-Transfer (TICT) Process

    Article • The Journal of Physical Chemistry A, July 2011, American Chemical Society (ACS)

    Dr Laura Orian

  19. Intervalence Charge Transfer in Cationic Heterotrinuclear Fe(III)−Rh(I)−Cr(0) Triads of the Polyaromatic Cyclopentadienyl−Indenyl Ligand

    Article • Organometallics, April 2010, American Chemical Society (ACS)

    Dr Laura Orian

  20. Nonlinear Absorption Properties and Excited State Dynamics of Ferrocene

    Article • The Journal of Physical Chemistry A, July 2009, American Chemical Society (ACS)

    Dr Laura Orian

  21. Mixed Valence Properties in Ferrocenyl-Based Bimetallic FeCp−Indenyl−MLnComplexes: Effect of the MLnGroup

    Article • Organometallics, June 2009, American Chemical Society (ACS)

    Dr Laura Orian

  22. Unusual hydrothermal synthesis of a heteroaromatic macrocyclic complex

    Article • Polyhedron, December 2008, Elsevier

    Dr Laura Orian

  23. Tunable electronic coupling in iron–chromium mixed-valence ions of methylated Cp-indene ligands

    Article • Journal of Organometallic Chemistry, December 2008, Elsevier

    Dr Laura Orian

  24. Linkage Isomerism of Nitriles in Rhodium Half-Sandwich Metallacycles

    Article • Organometallics, July 2008, American Chemical Society (ACS)

    Dr Laura Orian, Professor Matthias Bickelhaupt

  25. Synthesis of the Prototypical Cyclic Metallocene Triad: Mixed‐Valence Properties of [(FeCp) 3 (trindenyl)] Isomers

    Article • Angewandte Chemie International Edition, July 2008, Wiley

    Dr Laura Orian

  26. Synthesis of the Prototypical Cyclic Metallocene Triad: Mixed‐Valence Properties of [(FeCp) 3 (trindenyl)] Isomers

    Article • Angewandte Chemie International Edition, July 2008, Wiley

    Dr Laura Orian

  27. Charge Transfer through Isomeric Unsaturated Hydrocarbons. Redox Switchable Optical Properties and Electronic Structure of Substituted Indenes with a Pendant Ferrocenyl

    Article • Organometallics, October 2007, American Chemical Society (ACS)

    Dr Laura Orian

  28. Metal–Metal Electronic Coupling insyn andanti Stereoisomers of Mixed-Valent (FeCp)2-, (RhL2)2-, and (FeCp)(RhL2)-as-Indacenediide Ions

    Article • Chemistry - A European Journal, September 2007, Wiley

    Dr Laura Orian

  29. Cyclotrimerization Reactions Catalyzed by Rhodium(I) Half-Sandwich Complexes:  A Mechanistic Density Functional Study

    Article • Organometallics, June 2007, American Chemical Society (ACS)

    Dr Laura Orian, Professor Matthias Bickelhaupt

  30. Tuning the Electronic Communication in Heterobimetallic Mixed-Valence Ions of (1-Ferrocenyl)- and (2-Ferrocenyl)indenyl Rhodium Isomers

    Article • Chemistry - A European Journal, February 2007, Wiley

    Dr Laura Orian

  31. A Joint Experimental and Computational Study on the Electronic Communication in Diethynylaryl-Bridged (η5-C5H5)Fe(η2-dppe) and (η5-C5H5)Fe(CO)2 Units

    Article • European Journal of Inorganic Chemistry, July 2006, Wiley

    Dr Laura Orian

  32. Designing Molecules for Metal−Metal Electronic Communication:  Synthesis and Molecular Structure of the Couple of Heterobimetallic Isomers [η6-(2-Ferrocenyl)indene]-Cr(CO)3and [η6-(3-Ferrocenyl)indene]-Cr(CO)3

    Article • Organometallics, September 2005, American Chemical Society (ACS)

    Dr Laura Orian

  33. 103Rh NMR Chemical Shifts in Organometallic Complexes: A Combined Experimental and Density Functional Study

    Article • Chemistry - A European Journal, August 2004, Wiley

    Dr Giacomo Saielli, Dr Laura Orian

  34. Electronic communication in heterobinuclear organometallic complexes through unsaturated hydrocarbon bridges

    Article • Coordination Chemistry Reviews, April 2004, Elsevier

    Dr Laura Orian

  35. Time Evolution of Director Patterns in Rotating Nematic Samples

    Article • Molecular Crystals and Liquid Crystals, January 2003, Taylor & Francis

    Dr Laura Orian

  36. Rheo-Nmr and Numerical Study of the Nematodynamics in Cylindrical Couette Geometry

    Article • Molecular Crystals and Liquid Crystals, January 2003, Taylor & Francis

    Dr Laura Orian

  37. Dynamical Regimes of Nematic Infinite Planar Samples

    Article • Molecular Crystals and Liquid Crystals, January 2002, Taylor & Francis

    Dr Laura Orian

  38. Dynamical Regimes of Nematic Infinite Planar Samples

    Article • Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals, January 2001, Taylor & Francis

    Dr Laura Orian

  39. Simulations of Flow-Induced Director Patterns in Nematic Liquid Crystals Through Leslie-Ericksen Equations in Two Dimensions

    Article • Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals, November 2000, Taylor & Francis

    Dr Laura Orian

  40. Simulations of flow-induced director structures in nematic liquid crystals through Leslie-Ericksen equations. I. Computational methodology in two dimensions

    Article • August 2000, American Physical Society (APS)

    Dr Laura Orian

  41. Simulations of flow-induced director structures in nematic liquid crystals through Leslie-Ericksen equations. II. Interpretation of NMR experiments in liquid crystal polymers

    Article • August 2000, American Physical Society (APS)

    Dr Laura Orian