All Stories

  1. How to find new materials easily
  2. How to find good molecules in a hilly landscape
  3. Theory of wavelet-based coarse-graining hierarchies for molecular dynamics
  4. Wavelet Analysis for Molecular Dynamics
  5. Smooth Constrained Heuristic Optimization of a Combinatorial Chemical Space
  6. Why and how does dopamine bind to alumina surfaces?
  7. Smart Chemical Optimization
  8. Coarse-graining Polymers: They Are Chains Not Beads
  9. Computational study of thermal and mechanical properties of nylons and bio-based furan polyamides
  10. How Sticky Groups Can Improve Polymer Toughness
  11. Stabilized (Pseudo-)Anti-Aromatic Cores Exhibit Exceptional Electro-Optic Properties
  12. Role of Metal–Ligand Bond Strength and Phase Separation on the Mechanical Properties of Metallopolymer Films
  13. DFT study of metal-complex structural variation on tensile force profiles
  14. Discrete Optimization in Chemical Space Reference Manual
  15. Chemical Compound Design Using Nuclear Charge Distributions
  16. Beyond benzene for aromats in NLO chromophores
  17. Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace
  18. The Geometry and Electronic Topology of Higher-Order Charged Möbius Annulenes†
  19. Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores
  20. Geminal Functional Theory
  21. Syntheses and Properties of Enantiomerically Pure Higher (n ≥ 7) [n−2]Triangulanedimethanols and σ‐[n]Helicenes
  22. 4,7,11-Triheterotrishomocubanes – Propeller-Shaped Highly Symmetrical Chiral Molecules Derived from Barrelene
  23. AnAufbau Ansatzfor geminal functional theory
  24. Bullvalene Trisepoxide and Its Stereospecific Rearrangement to 2,8,12‐Trioxahexacyclo[8.3.0.03,904,605,1307,11]tridecane: Two New C3‐Symmetrical Oligocycles with Propeller Chirality
  25. Ein konvergenter Zugang zu enantiomerenreinen höheren [n−2]Triangulandimethanol‐Derivaten und [n]Triangulanen (n≥7)
  26. A Convergent Route to Enantiomerically Pure Higher [n−2]Triangulanedimethanol Derivatives and [n]Triangulanes (n≥7)
  27. Cover Picture: A Convergent Route to Enantiomerically Pure Higher [n−2]Triangulanedimethanol Derivatives and [n]Triangulanes (n≥7) (Angew. Chem. Int. Ed. 47/2004)
  28. Titelbild: Ein konvergenter Zugang zu enantiomerenreinen höheren [n−2]Triangulandimethanol‐Derivaten und [n]Triangulanen (n≥7) (Angew. Chem. 47/2004)
  29. An Introduction to Theoretical Chemistry. Von Jack Simons.
  30. An Introduction to Theoretical Chemistry. By Jack Simons.
  31. Structure−Property Relationships of Prototypical Chiral Compounds:  Case Studies,
  32. Pseudotetrahedral Polyhaloadamantanes as Chirality Probes:  Synthesis, Separation, and Absolute Configuration
  33. The First Enantiomerically Pure [n]Triangulanes and Analogues: σ-[n]Helicenes with Remarkable Features
  34. ChemInform Abstract: Tetracyclopropylmethane: A Unique Hydrocarbon with S4 Symmetry.
  35. Tetracyclopropylmethan: ein einzigartiger Kohlenwasserstoff mitS4-Symmetrie
  36. Tetracyclopropylmethane: A Unique Hydrocarbon with S4 Symmetry
  37. Tetracyclopropylmethane: A Unique Hydrocarbon with S4 Symmetry
  38. Geminal Functional Theory